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

Systemtic Name: 2-(2-dimethylaminoethylamino)-7-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 7-[(4-benzhydrylpiperazin-1-yl)methyl]-2-(2-dimethylaminoethylamino)-4-isopropyl-cyclohepta-2,4,6-trien-1-one CAS Name: 2-(2-dimethylaminoethylamino)-7-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 7-[(4-benzhydrylpiperazin-1-yl)methyl]-2-(2-dimethylaminoethylamino)-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 7-[(4-benzhydrylpiperazino)methyl]-2-(2-dimethylaminoethylamino)-4-isopropyl-cyclohepta-2,4,6-trien-1-one Formula: C32H42N4O MolecularWeight: 498.70208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C(=O)C(=C1)NCCN(C)C)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C(=O)C(=C1)NCCN(C)C)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C32H42N4O/c1-25(2)28-15-16-29(32(37)30(23-28)33-17-18-34(3)4)24-35-19-21-36(22-20-35)31(26-11-7-5-8-12-26)27-13-9-6-10-14-27/h5-16,23,25,31H,17-22,24H2,1-4H3,(H,33,37)