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

Systemtic Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-oxo-isochromane-3-carboxamide CAS Name: N-[2-methyl-4-(4-methyl-1-piperazinyl)phenyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: 1-keto-N-[2-methyl-4-(4-methylpiperazino)phenyl]isochroman-3-carboxamide Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3/c1-15-13-17(25-11-9-24(2)10-12-25)7-8-19(15)23-21(26)20-14-16-5-3-4-6-18(16)22(27)28-20/h3-8,13,20H,9-12,14H2,1-2H3,(H,23,26)