ethyl 2-[5-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3-oxidanylidene-1H-isoindol-2-yl]ethanoate

Systemtic Name: ethyl 2-[5-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3-oxidanylidene-1H-isoindol-2-yl]ethanoate Openeye Name: ethyl 2-[6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-1-oxo-isoindolin-2-yl]acetate CAS Name: 2-[5-[4-(3,3-diphenylpropyl)-1-piperazinyl]-3-oxo-1H-isoindol-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]acetate Traditional Name: 2-[6-[4-(3,3-diphenylpropyl)piperazino]-1-keto-isoindolin-2-yl]acetic acid ethyl ester Formula: C31H35N3O3 MolecularWeight: 497.6279

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CC2=C(C1=O)C=C(C=C2)N3CCN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)CN1CC2=C(C1=O)C=C(C=C2)N3CCN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H35N3O3/c1-2-37-30(35)23-34-22-26-13-14-27(21-29(26)31(34)36)33-19-17-32(18-20-33)16-15-28(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-14,21,28H,2,15-20,22-23H2,1H3