7,8-dimethoxy-1-methyl-5-[3-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]-3H-1,4-benzodiazepin-2-one

Systemtic Name: 7,8-dimethoxy-1-methyl-5-[3-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]-3H-1,4-benzodiazepin-2-one Openeye Name: 5-[3-(4-benzylpiperazine-1-carbonyl)phenyl]-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one CAS Name: 7,8-dimethoxy-1-methyl-5-[3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]-3H-1,4-benzodiazepin-2-one IUPAC Name: 5-[3-(4-benzylpiperazine-1-carbonyl)phenyl]-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one Traditional Name: 5-[3-(4-benzylpiperazine-1-carbonyl)phenyl]-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one Formula: C30H32N4O4 MolecularWeight: 512.59948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN=C(C2=CC(=C(C=C21)OC)OC)C3=CC(=CC=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CN1C(=O)CN=C(C2=CC(=C(C=C21)OC)OC)C3=CC(=CC=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H32N4O4/c1-32-25-18-27(38-3)26(37-2)17-24(25)29(31-19-28(32)35)22-10-7-11-23(16-22)30(36)34-14-12-33(13-15-34)20-21-8-5-4-6-9-21/h4-11,16-18H,12-15,19-20H2,1-3H3