4-(4-methylphenyl)-1-oxidanylidene-N-[2-(4-phenylpiperazin-1-yl)ethyl]isochromene-3-carboxamide

Systemtic Name: 4-(4-methylphenyl)-1-oxidanylidene-N-[2-(4-phenylpiperazin-1-yl)ethyl]isochromene-3-carboxamide Openeye Name: 1-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]-4-(p-tolyl)isochromene-3-carboxamide CAS Name: 4-(4-methylphenyl)-1-oxo-N-[2-(4-phenyl-1-piperazinyl)ethyl]-2-benzopyran-3-carboxamide IUPAC Name: 4-(4-methylphenyl)-1-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]isochromene-3-carboxamide Traditional Name: 1-keto-N-[2-(4-phenylpiperazino)ethyl]-4-(p-tolyl)isochromene-3-carboxamide Formula: C29H29N3O3 MolecularWeight: 467.55886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)NCCN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)NCCN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H29N3O3/c1-21-11-13-22(14-12-21)26-24-9-5-6-10-25(24)29(34)35-27(26)28(33)30-15-16-31-17-19-32(20-18-31)23-7-3-2-4-8-23/h2-14H,15-20H2,1H3,(H,30,33)