N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[2-[4-(m-tolyl)piperazin-1-yl]ethyl]-1-oxo-isochromane-3-carboxamide CAS Name: N-[2-[4-(3-methylphenyl)-1-piperazinyl]ethyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: 1-keto-N-[2-[4-(m-tolyl)piperazino]ethyl]isochroman-3-carboxamide Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCNC(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCNC(=O)C3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C23H27N3O3/c1-17-5-4-7-19(15-17)26-13-11-25(12-14-26)10-9-24-22(27)21-16-18-6-2-3-8-20(18)23(28)29-21/h2-8,15,21H,9-14,16H2,1H3,(H,24,27)