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

Systemtic Name: 7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-propan-2-yl-2-propoxy-cyclohepta-2,4,6-trien-1-one Openeye Name: 7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-isopropyl-2-propoxy-cyclohepta-2,4,6-trien-1-one CAS Name: 7-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-4-propan-2-yl-2-propoxy-1-cyclohepta-2,4,6-trienone IUPAC Name: 7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-propan-2-yl-2-propoxycyclohepta-2,4,6-trien-1-one Traditional Name: 7-[[4-(3-chlorophenyl)piperazino]methyl]-4-isopropyl-2-propoxy-cyclohepta-2,4,6-trien-1-one Formula: C24H31ClN2O2 MolecularWeight: 414.96814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31ClN2O2/c1-4-14-29-23-15-19(18(2)3)8-9-20(24(23)28)17-26-10-12-27(13-11-26)22-7-5-6-21(25)16-22/h5-9,15-16,18H,4,10-14,17H2,1-3H3