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

Systemtic Name: 2-phenylmethoxy-7-[[4-(phenylmethyl)piperazin-1-yl]methyl]-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-benzyloxy-7-[(4-benzylpiperazin-1-yl)methyl]-4-isopropyl-cyclohepta-2,4,6-trien-1-one CAS Name: 2-phenylmethoxy-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-phenylmethoxy-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 2-benzoxy-7-[(4-benzylpiperazino)methyl]-4-isopropyl-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)OCC2=CC=CC=C2)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C(=O)C(=C1)OCC2=CC=CC=C2)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C29H34N2O2/c1-23(2)26-13-14-27(29(32)28(19-26)33-22-25-11-7-4-8-12-25)21-31-17-15-30(16-18-31)20-24-9-5-3-6-10-24/h3-14,19,23H,15-18,20-22H2,1-2H3