[2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [2-[3-(N-methylanilino)propylamino]-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [2-[3-(N-methylanilino)propylamino]-2-oxoethyl] ester IUPAC Name: [2-[3-(N-methylanilino)propylamino]-2-oxoethyl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [2-keto-2-[3-(N-methylanilino)propylamino]ethyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)COC(=O)C1=CC2=CC=CC=C2C(=O)N1)C3=CC=CC=C3

Isomeric SMILES

CN(CCCNC(=O)COC(=O)C1=CC2=CC=CC=C2C(=O)N1)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4/c1-25(17-9-3-2-4-10-17)13-7-12-23-20(26)15-29-22(28)19-14-16-8-5-6-11-18(16)21(27)24-19/h2-6,8-11,14H,7,12-13,15H2,1H3,(H,23,26)(H,24,27)