2-butoxy-7-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 2-butoxy-7-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-butoxy-4-isopropyl-7-[[4-(m-tolyl)piperazin-1-yl]methyl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-butoxy-7-[[4-(3-methylphenyl)-1-piperazinyl]methyl]-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-butoxy-7-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 2-butoxy-4-isopropyl-7-[[4-(m-tolyl)piperazino]methyl]cyclohepta-2,4,6-trien-1-one Formula: C26H36N2O2 MolecularWeight: 408.57624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=CC=C(C1=O)CN2CCN(CC2)C3=CC=CC(=C3)C)C(C)C

Isomeric SMILES

CCCCOC1=CC(=CC=C(C1=O)CN2CCN(CC2)C3=CC=CC(=C3)C)C(C)C

InChI

InChI=1S/C26H36N2O2/c1-5-6-16-30-25-18-22(20(2)3)10-11-23(26(25)29)19-27-12-14-28(15-13-27)24-9-7-8-21(4)17-24/h7-11,17-18,20H,5-6,12-16,19H2,1-4H3