methyl 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate

Systemtic Name: methyl 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate Openeye Name: methyl 2-[2-(3-cyanoanilino)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate CAS Name: 2-[2-(3-cyanoanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-cyanoanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate Traditional Name: 2-[2-(3-cyanoanilino)-2-keto-ethyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid methyl ester Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CN(CCC2=CC=C1)CC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

COC(=O)C1=C2CN(CCC2=CC=C1)CC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H19N3O3/c1-26-20(25)17-7-3-5-15-8-9-23(12-18(15)17)13-19(24)22-16-6-2-4-14(10-16)11-21/h2-7,10H,8-9,12-13H2,1H3,(H,22,24)