70698663 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 5 5 6 6 7 7 8 8 10 10 11 11 12 13 14 14 15 9 5 8 12 7 9 18 12 13 6 10 7 11 16 17 9 13 14 19 15 20 21 22 15 23 24 2 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 2 1 1 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 6.9814 4.883 5.383 5.9972 3.982 3.7595 4.383 5.784 6.0065 3.2295 2.769 5.019 6.4691 2.2318 2 4.521 3.8244 5.652 3.3744 2.638 4.5716 7.0836 1.7789 1.4082 0.8374 -0.7939 1.3967 -1.9553 -0.36 0.6149 1.3967 -0.36 0.6149 -1.0802 0.9372 -1.7787 -1.0803 -0.7809 0.2346 2.0012 1.6657 1.9553 -1.683 1.5432 -2.2079 -0.9982 -1.2043 0.4197 8 8 8 8 8 8 8 8 8 8 8 2 2 4 4 5 5 6 8 10 11 14 8 12 12 13 6 10 11 13 14 15 15 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 269 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 1 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 00000371C0732000000000000000000000000000000160000000300000000580000000B1C000001E00100000000C08C19E043DD097CC1000A8033577740082802D3712A009D881B874C888686AC0D9B1942088688602C8C8E71080000E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 5,6-dihydroimidazo[1,5-a][1,4]benzodiazepin-4-one IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 5,6-dihydroimidazo[1,5-a][1,4]benzodiazepin-4-one IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 5,6-dihydroimidazo[1,5-a][1,4]benzodiazepin-4-one IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 5,6-dihydroimidazo[1,5-a][1,4]benzodiazepin-4-one IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 5,6-dihydroimidazo[1,5-a][1,4]benzodiazepin-4-one InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/C11H9N3O/c15-11-10-6-12-7-14(10)9-4-2-1-3-8(9)5-13-11/h1-4,6-7H,5H2,(H,13,15) InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 PZFSRPZRKQISBD-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 199.074562 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 C11H9N3O Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 199.20866 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 C1C2=CC=CC=C2N3C=NC=C3C(=O)N1 SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 C1C2=CC=CC=C2N3C=NC=C3C(=O)N1 Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 46.9 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 199.074562 15 0 0 0 0 0 0 0 1 2