[2-[[4-(4-methylpiperidin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [2-[[4-(4-methylpiperidin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [2-[4-(4-methyl-1-piperidyl)anilino]-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [2-[4-(4-methyl-1-piperidinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [2-keto-2-[4-(4-methylpiperidino)anilino]ethyl] ester Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C24H25N3O4/c1-16-10-12-27(13-11-16)19-8-6-18(7-9-19)25-22(28)15-31-24(30)21-14-17-4-2-3-5-20(17)23(29)26-21/h2-9,14,16H,10-13,15H2,1H3,(H,25,28)(H,26,29)