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

Systemtic Name: 7-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-4-propan-2-yl-2-propoxy-cyclohepta-2,4,6-trien-1-one Openeye Name: 4-isopropyl-7-[[4-(m-tolyl)piperazin-1-yl]methyl]-2-propoxy-cyclohepta-2,4,6-trien-1-one CAS Name: 7-[[4-(3-methylphenyl)-1-piperazinyl]methyl]-4-propan-2-yl-2-propoxy-1-cyclohepta-2,4,6-trienone IUPAC Name: 7-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-4-propan-2-yl-2-propoxycyclohepta-2,4,6-trien-1-one Traditional Name: 4-isopropyl-7-[[4-(m-tolyl)piperazino]methyl]-2-propoxy-cyclohepta-2,4,6-trien-1-one Formula: C25H34N2O2 MolecularWeight: 394.54966

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=CC=C(C1=O)CN2CCN(CC2)C3=CC=CC(=C3)C)C(C)C

Isomeric SMILES

CCCOC1=CC(=CC=C(C1=O)CN2CCN(CC2)C3=CC=CC(=C3)C)C(C)C

InChI

InChI=1S/C25H34N2O2/c1-5-15-29-24-17-21(19(2)3)9-10-22(25(24)28)18-26-11-13-27(14-12-26)23-8-6-7-20(4)16-23/h6-10,16-17,19H,5,11-15,18H2,1-4H3