10471670 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 7 6 6 6 6 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 2 2 2 3 3 3 4 4 5 5 6 6 7 7 7 8 9 9 9 10 11 11 12 12 13 13 14 14 15 15 16 17 17 17 18 18 19 19 20 20 21 21 22 23 23 24 24 25 10 3 4 8 7 26 27 5 11 6 12 8 10 9 28 29 30 17 31 32 13 15 33 16 34 14 19 18 20 16 35 36 37 38 39 21 23 22 40 24 41 22 42 43 25 44 25 45 46 2 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 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 8.1024 4.7954 3.8013 5.2888 6.2673 6.3703 3.3977 5.4625 2.4036 7.2364 4.9781 6.9351 7.2364 8.1024 5.646 6.6244 2 8.1024 6.3703 8.9963 7.2364 6.3703 8.9963 9.9024 9.9024 3.1992 3.8424 3.9998 3.3566 5.3347 1.8015 2.4447 4.3714 7.5418 5.4533 7.0385 2.5673 1.7498 1.4327 5.8334 8.9892 7.2364 5.8334 8.9892 10.4381 10.4381 -0.3224 -0.6544 -0.5464 -1.5174 -1.3112 -0.3224 0.3686 0.0827 0.4765 0.1776 -2.4679 -2.0555 1.1776 1.6776 -3.2122 -3.006 1.3915 2.6776 1.6776 1.1429 3.1776 2.6776 3.2122 1.6567 2.6984 -0.6943 -1.165 0.5165 0.9872 0.6893 0.3286 -0.1421 -2.5958 -1.9276 -3.8015 -3.4675 1.6417 1.9588 1.1413 1.3676 0.5229 3.7976 2.9876 3.8322 1.3447 3.0104 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 4 4 5 5 6 11 12 13 13 14 14 15 18 18 19 20 21 23 24 4 8 5 11 6 12 8 15 16 14 19 18 20 16 21 23 22 24 22 25 25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 461 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A20000000000000000000000000000001600000003060C0000000000058C1F400001E00000000000C0CC19E043EC0F30C1000A803B477440082802035022008D8213864D80820FAC09591842188608000C8C9C71C88C08E80000200001200000000040000240000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1-butylindol-3-yl)-(1-naphthyl)methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1-butyl-3-indolyl)-(1-naphthalenyl)methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1-butylindol-3-yl)-naphthalen-1-ylmethanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1-butylindol-3-yl)-naphthalen-1-ylmethanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1-butylindol-3-yl)-naphthalen-1-yl-methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1-butylindol-3-yl)-(1-naphthyl)methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C23H21NO/c1-2-3-15-24-16-21(19-12-6-7-14-22(19)24)23(25)20-13-8-10-17-9-4-5-11-18(17)20/h4-14,16H,2-3,15H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 VCHHHSMPMLNVGS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 327.162314293 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C23H21NO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 327.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 22 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 327.162314293 25 0 0 0 0 0 0 0 1 -1