N-[2-(4-methylpiperazin-1-yl)phenyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-[2-(4-methylpiperazin-1-yl)phenyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[2-(4-methylpiperazin-1-yl)phenyl]-1-oxo-isochromane-3-carboxamide CAS Name: N-[2-(4-methyl-1-piperazinyl)phenyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[2-(4-methylpiperazin-1-yl)phenyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: 1-keto-N-[2-(4-methylpiperazino)phenyl]isochroman-3-carboxamide Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C21H23N3O3/c1-23-10-12-24(13-11-23)18-9-5-4-8-17(18)22-20(25)19-14-15-6-2-3-7-16(15)21(26)27-19/h2-9,19H,10-14H2,1H3,(H,22,25)