7-[[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-2-phenylmethoxy-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 7-[[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-2-phenylmethoxy-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-benzyloxy-7-[[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-4-isopropyl-cyclohepta-2,4,6-trien-1-one CAS Name: 7-[[4-(2,4-dimethylphenyl)-1-piperazinyl]methyl]-2-phenylmethoxy-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 7-[[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-2-phenylmethoxy-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 2-benzoxy-7-[[4-(2,4-dimethylphenyl)piperazino]methyl]-4-isopropyl-cyclohepta-2,4,6-trien-1-one Formula: C30H36N2O2 MolecularWeight: 456.61904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=C(C=C(C3=O)OCC4=CC=CC=C4)C(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=C(C=C(C3=O)OCC4=CC=CC=C4)C(C)C)C

InChI

InChI=1S/C30H36N2O2/c1-22(2)26-11-12-27(30(33)29(19-26)34-21-25-8-6-5-7-9-25)20-31-14-16-32(17-15-31)28-13-10-23(3)18-24(28)4/h5-13,18-19,22H,14-17,20-21H2,1-4H3