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

Systemtic Name: 2-azanyl-3-[(2-methoxyphenyl)methylamino]-1-naphthalen-2-yl-pyrrolo[2,3-b][1,4]benzodiazepin-5-one Openeye Name: 2-amino-3-[(2-methoxyphenyl)methylamino]-1-(2-naphthyl)pyrrolo[2,3-b][1,4]benzodiazepin-5-one CAS Name: 2-amino-3-[(2-methoxyphenyl)methylamino]-1-(2-naphthalenyl)-5-pyrrolo[2,3-b][1,4]benzodiazepinone IUPAC Name: 2-amino-3-[(2-methoxyphenyl)methylamino]-1-naphthalen-2-ylpyrrolo[2,3-b][1,4]benzodiazepin-5-one Traditional Name: 2-amino-1-(2-naphthyl)-3-(o-anisylamino)pyrrolo[2,3-b][1,4]benzodiazepin-5-one Formula: C29H23N5O2 MolecularWeight: 473.52522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC2=C(N(C3=NC4=CC=CC=C4C(=O)N=C23)C5=CC6=CC=CC=C6C=C5)N

Isomeric SMILES

COC1=CC=CC=C1CNC2=C(N(C3=NC4=CC=CC=C4C(=O)N=C23)C5=CC6=CC=CC=C6C=C5)N

InChI

InChI=1S/C29H23N5O2/c1-36-24-13-7-4-10-20(24)17-31-25-26-28(32-23-12-6-5-11-22(23)29(35)33-26)34(27(25)30)21-15-14-18-8-2-3-9-19(18)16-21/h2-16,31H,17,30H2,1H3