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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CC3=CC4=C(C=C3)OC(=O)C=C4

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CC3=CC4=C(C=C3)OC(=O)C=C4

InChI

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