2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one

Systemtic Name: 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one Openeye Name: 2-[4-(m-tolylmethyl)piperazin-1-yl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one Traditional Name: 2-[4-(3-methylbenzyl)piperazino]cyclohepta-2,4,6-trien-1-one Formula: C19H22N2O MolecularWeight: 294.39078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C3=CC=CC=CC3=O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C3=CC=CC=CC3=O

InChI

InChI=1S/C19H22N2O/c1-16-6-5-7-17(14-16)15-20-10-12-21(13-11-20)18-8-3-2-4-9-19(18)22/h2-9,14H,10-13,15H2,1H3