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

Systemtic Name: 7-[[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]methyl]-2-methoxy-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 7-[[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]methyl]-4-isopropyl-2-methoxy-cyclohepta-2,4,6-trien-1-one CAS Name: 7-[[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]methyl]-2-methoxy-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 7-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]-2-methoxy-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 7-[[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]methyl]-4-isopropyl-2-methoxy-cyclohepta-2,4,6-trien-1-one Formula: C29H33ClN2O2 MolecularWeight: 477.03752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C(=O)C(=C1)OC)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)C1=CC=C(C(=O)C(=C1)OC)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C29H33ClN2O2/c1-21(2)24-9-10-25(29(33)27(19-24)34-3)20-31-15-17-32(18-16-31)28(22-7-5-4-6-8-22)23-11-13-26(30)14-12-23/h4-14,19,21,28H,15-18,20H2,1-3H3