10-chloranyl-3-methoxy-4,7-dimethyl-9-oxidanyl-1-(2-oxidanylbutan-2-yl)benzo[b][1,4]benzodiazepin-6-one

Systemtic Name: 10-chloranyl-3-methoxy-4,7-dimethyl-9-oxidanyl-1-(2-oxidanylbutan-2-yl)benzo[b][1,4]benzodiazepin-6-one Openeye Name: 10-chloro-9-hydroxy-1-(1-hydroxy-1-methyl-propyl)-3-methoxy-4,7-dimethyl-benzo[b][1,4]benzodiazepin-6-one CAS Name: 10-chloro-9-hydroxy-1-(2-hydroxybutan-2-yl)-3-methoxy-4,7-dimethyl-6-benzo[b][1,4]benzodiazepinone IUPAC Name: 10-chloro-9-hydroxy-1-(2-hydroxybutan-2-yl)-3-methoxy-4,7-dimethylbenzo[b][1,4]benzodiazepin-6-one Traditional Name: 10-chloro-9-hydroxy-1-(1-hydroxy-1-methyl-propyl)-3-methoxy-4,7-dimethyl-benzo[b][1,4]benzodiazepin-6-one Formula: C20H21ClN2O4 MolecularWeight: 388.84474

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C1=CC(=C(C2=NC(=O)C3=C(C(=C(C=C3C)O)Cl)N=C12)C)OC)O

Isomeric SMILES

CCC(C)(C1=CC(=C(C2=NC(=O)C3=C(C(=C(C=C3C)O)Cl)N=C12)C)OC)O

InChI

InChI=1S/C20H21ClN2O4/c1-6-20(4,26)11-8-13(27-5)10(3)16-17(11)22-18-14(19(25)23-16)9(2)7-12(24)15(18)21/h7-8,24,26H,6H2,1-5H3