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

Systemtic Name: 6-(4-methoxyphenyl)-9-phenyl-5-propanoyl-6a,8,9,10-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 6-(4-methoxyphenyl)-9-phenyl-5-propanoyl-6a,8,9,10-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 6-(4-methoxyphenyl)-5-(1-oxopropyl)-9-phenyl-6a,8,9,10-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 6-(4-methoxyphenyl)-9-phenyl-5-propanoyl-6a,8,9,10-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 6-(4-methoxyphenyl)-9-phenyl-5-propionyl-6a,8,9,10-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C29H28N2O3 MolecularWeight: 452.54422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28N2O3/c1-3-27(33)31-25-12-8-7-11-23(25)30-24-17-21(19-9-5-4-6-10-19)18-26(32)28(24)29(31)20-13-15-22(34-2)16-14-20/h4-16,21,28-29H,3,17-18H2,1-2H3