3244907 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 4 4 5 6 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 12 12 12 13 13 13 14 15 15 15 17 18 18 19 20 20 21 21 22 23 24 24 24 5 17 14 22 24 10 11 14 16 7 8 25 26 9 27 28 10 29 30 11 31 32 33 34 35 36 13 16 17 15 37 38 16 18 39 40 19 19 20 21 22 41 23 42 23 43 44 45 46 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 5.5358 5.893 10.0001 4.2467 4.9522 2 2.2062 2.6364 3.0998 3.6363 4.0079 6.482 7.3481 5.2252 8.2141 5.5358 6.482 8.2141 7.3481 9.1241 7.332 9.1321 8.2301 10.0039 1.6216 1.437 1.5863 2.0582 2.7845 2.0824 2.7052 3.4782 4.1993 3.5085 4.1358 4.6278 6.9496 7.7466 8.4262 8.8247 9.6574 6.7915 8.2277 10.6239 10.0063 9.3839 0.7079 -2.5964 2.4482 -2.0584 -0.0969 -2.0208 -2.9994 -1.2495 -3.4482 -1.2662 -3.0294 -0.5969 -1.0969 -1.8521 -0.5969 -0.9016 0.4031 0.4031 0.9031 0.91 1.9446 1.9516 2.4724 3.4482 -1.5297 -2.2805 -2.989 -3.6014 -0.6475 -0.9712 -3.9264 -3.9393 -1.0066 -0.6595 -3.6361 -3.0398 -1.5718 -1.5718 -1.1795 -0.4892 0.5938 2.2484 3.0924 3.4458 4.0682 3.4506 8 8 8 8 8 8 8 8 8 8 8 1 1 5 12 12 18 18 19 20 21 22 5 17 16 16 17 19 20 21 22 23 23 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 450 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B3000000000000000000000000000000160000000306000000580000058C1C000001E00040000000C0CC19E06328693100400A903A5725200820800262000289821AE4CDA0C663A84B59B9431A866C61988E9C7BFECFCCEA000010000100000C000060000300000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 azepan-1-yl-(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-azepanyl-(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 azepan-1-yl-(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)methanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 azepan-1-yl-(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)methanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 azepan-1-yl-(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 azepan-1-yl-(7-methoxy-4,5-dihydrobenz[g]indoxazen-3-yl)methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H22N2O3/c1-23-14-7-9-15-13(12-14)6-8-16-17(20-24-18(15)16)19(22)21-10-4-2-3-5-11-21/h7,9,12H,2-6,8,10-11H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 WVWVJNQGPSJDHH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 326.16304257 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H22N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 326.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC2=C(C=C1)C3=C(CC2)C(=NO3)C(=O)N4CCCCCC4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC2=C(C=C1)C3=C(CC2)C(=NO3)C(=O)N4CCCCCC4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 55.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 326.16304257 24 0 0 0 0 0 0 0 1 -1