6-[[4-(4-methylphenyl)piperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 6-[[4-(4-methylphenyl)piperazin-1-yl]methyl]chromen-2-one Openeye Name: 6-[[4-(p-tolyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 6-[[4-(4-methylphenyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-[[4-(4-methylphenyl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 6-[[4-(p-tolyl)piperazino]methyl]coumarin Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CCN(CC2)CC3=CC4=C(C=C3)OC(=O)C=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2CCN(CC2)CC3=CC4=C(C=C3)OC(=O)C=C4

InChI

InChI=1S/C21H22N2O2/c1-16-2-6-19(7-3-16)23-12-10-22(11-13-23)15-17-4-8-20-18(14-17)5-9-21(24)25-20/h2-9,14H,10-13,15H2,1H3