9,9-dimethyl-6-(2-phenylmethoxyphenyl)-5-propanoyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 9,9-dimethyl-6-(2-phenylmethoxyphenyl)-5-propanoyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: 6-(2-benzyloxyphenyl)-9,9-dimethyl-5-propanoyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: 9,9-dimethyl-5-(1-oxopropyl)-6-(2-phenylmethoxyphenyl)-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: 9,9-dimethyl-6-(2-phenylmethoxyphenyl)-5-propanoyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: 6-(2-benzoxyphenyl)-9,9-dimethyl-5-propionyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C31H32N2O3 MolecularWeight: 480.59738

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(C2C(=O)CC(C=C2NC3=CC=CC=C31)(C)C)C4=CC=CC=C4OCC5=CC=CC=C5

Isomeric SMILES

CCC(=O)N1C(C2C(=O)CC(C=C2NC3=CC=CC=C31)(C)C)C4=CC=CC=C4OCC5=CC=CC=C5

InChI

InChI=1S/C31H32N2O3/c1-4-28(35)33-25-16-10-9-15-23(25)32-24-18-31(2,3)19-26(34)29(24)30(33)22-14-8-11-17-27(22)36-20-21-12-6-5-7-13-21/h5-18,29-30,32H,4,19-20H2,1-3H3