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

Systemtic Name: 7-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-2-methoxy-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 7-[(4-benzhydrylpiperazin-1-yl)methyl]-4-isopropyl-2-methoxy-cyclohepta-2,4,6-trien-1-one CAS Name: 7-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-2-methoxy-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 7-[(4-benzhydrylpiperazin-1-yl)methyl]-2-methoxy-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 7-[(4-benzhydrylpiperazino)methyl]-4-isopropyl-2-methoxy-cyclohepta-2,4,6-trien-1-one Formula: C29H34N2O2 MolecularWeight: 442.59246

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C29H34N2O2/c1-22(2)25-14-15-26(29(32)27(20-25)33-3)21-30-16-18-31(19-17-30)28(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-15,20,22,28H,16-19,21H2,1-3H3