2-azanyl-1-cyclohexyl-3-[(2-methoxyphenyl)methylamino]pyrrolo[2,3-b][1,4]benzodiazepin-5-one

Systemtic Name: 2-azanyl-1-cyclohexyl-3-[(2-methoxyphenyl)methylamino]pyrrolo[2,3-b][1,4]benzodiazepin-5-one Openeye Name: 2-amino-1-cyclohexyl-3-[(2-methoxyphenyl)methylamino]pyrrolo[2,3-b][1,4]benzodiazepin-5-one CAS Name: 2-amino-1-cyclohexyl-3-[(2-methoxyphenyl)methylamino]-5-pyrrolo[2,3-b][1,4]benzodiazepinone IUPAC Name: 2-amino-1-cyclohexyl-3-[(2-methoxyphenyl)methylamino]pyrrolo[2,3-b][1,4]benzodiazepin-5-one Traditional Name: 2-amino-1-cyclohexyl-3-(o-anisylamino)pyrrolo[2,3-b][1,4]benzodiazepin-5-one Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC2=C(N(C3=NC4=CC=CC=C4C(=O)N=C23)C5CCCCC5)N

Isomeric SMILES

COC1=CC=CC=C1CNC2=C(N(C3=NC4=CC=CC=C4C(=O)N=C23)C5CCCCC5)N

InChI

InChI=1S/C25H27N5O2/c1-32-20-14-8-5-9-16(20)15-27-21-22-24(30(23(21)26)17-10-3-2-4-11-17)28-19-13-7-6-12-18(19)25(31)29-22/h5-9,12-14,17,27H,2-4,10-11,15,26H2,1H3