[4-[9-(4-methoxyphenyl)-7-oxidanylidene-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] ethanoate

Systemtic Name: [4-[9-(4-methoxyphenyl)-7-oxidanylidene-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] ethanoate Openeye Name: [4-[9-(4-methoxyphenyl)-7-oxo-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] acetate CAS Name: acetic acid [4-[9-(4-methoxyphenyl)-7-oxo-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] ester IUPAC Name: [4-[9-(4-methoxyphenyl)-7-oxo-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] acetate Traditional Name: acetic acid [4-[7-keto-9-(4-methoxyphenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] ester Formula: C28H26N2O4 MolecularWeight: 454.51704

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2C3C(=O)CC(C=C3NC4=CC=CC=C4N2)C5=CC=C(C=C5)OC

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C2C3C(=O)CC(C=C3NC4=CC=CC=C4N2)C5=CC=C(C=C5)OC

InChI

InChI=1S/C28H26N2O4/c1-17(31)34-22-13-9-19(10-14-22)28-27-25(29-23-5-3-4-6-24(23)30-28)15-20(16-26(27)32)18-7-11-21(33-2)12-8-18/h3-15,20,27-30H,16H2,1-2H3