[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C26H21N3O4 MolecularWeight: 439.46264

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)C#N

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H21N3O4/c27-15-18-10-12-22(13-11-18)28-24(30)17-33-26(32)23-14-20-8-4-5-9-21(20)16-29(23)25(31)19-6-2-1-3-7-19/h1-13,23H,14,16-17H2,(H,28,30)