[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [2-keto-2-(4-pyrrolidinoanilino)ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C22H21N3O4/c26-20(23-16-7-9-17(10-8-16)25-11-3-4-12-25)14-29-22(28)19-13-15-5-1-2-6-18(15)21(27)24-19/h1-2,5-10,13H,3-4,11-12,14H2,(H,23,26)(H,24,27)