5-ethanoyl-6-(3-methoxyphenyl)-9-phenyl-6a,8,9,10-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 5-ethanoyl-6-(3-methoxyphenyl)-9-phenyl-6a,8,9,10-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 5-acetyl-6-(3-methoxyphenyl)-9-phenyl-6a,8,9,10-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 5-acetyl-6-(3-methoxyphenyl)-9-phenyl-6a,8,9,10-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 5-acetyl-6-(3-methoxyphenyl)-9-phenyl-6a,8,9,10-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 5-acetyl-6-(3-methoxyphenyl)-9-phenyl-6a,8,9,10-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C28H26N2O3 MolecularWeight: 438.51764

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C2C(=NC3=CC=CC=C31)CC(CC2=O)C4=CC=CC=C4)C5=CC(=CC=C5)OC

Isomeric SMILES

CC(=O)N1C(C2C(=NC3=CC=CC=C31)CC(CC2=O)C4=CC=CC=C4)C5=CC(=CC=C5)OC

InChI

InChI=1S/C28H26N2O3/c1-18(31)30-25-14-7-6-13-23(25)29-24-16-21(19-9-4-3-5-10-19)17-26(32)27(24)28(30)20-11-8-12-22(15-20)33-2/h3-15,21,27-28H,16-17H2,1-2H3