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

Systemtic Name: 2-ethoxy-7-[[4-(phenylmethyl)piperazin-1-yl]methyl]-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 7-[(4-benzylpiperazin-1-yl)methyl]-2-ethoxy-4-isopropyl-cyclohepta-2,4,6-trien-1-one CAS Name: 2-ethoxy-7-[[4-(phenylmethyl)-1-piperazinyl]methyl]-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 7-[(4-benzylpiperazin-1-yl)methyl]-2-ethoxy-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 7-[(4-benzylpiperazino)methyl]-2-ethoxy-4-isopropyl-cyclohepta-2,4,6-trien-1-one Formula: C24H32N2O2 MolecularWeight: 380.52308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC=C(C1=O)CN2CCN(CC2)CC3=CC=CC=C3)C(C)C

Isomeric SMILES

CCOC1=CC(=CC=C(C1=O)CN2CCN(CC2)CC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C24H32N2O2/c1-4-28-23-16-21(19(2)3)10-11-22(24(23)27)18-26-14-12-25(13-15-26)17-20-8-6-5-7-9-20/h5-11,16,19H,4,12-15,17-18H2,1-3H3