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

Systemtic Name: 7-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-2-phenylmethoxy-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-benzyloxy-4-isopropyl-7-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]cyclohepta-2,4,6-trien-1-one CAS Name: 7-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-2-phenylmethoxy-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 7-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-2-phenylmethoxy-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 2-benzoxy-4-isopropyl-7-[[4-(4-nitrophenyl)piperazino]methyl]cyclohepta-2,4,6-trien-1-one Formula: C28H31N3O4 MolecularWeight: 473.56344

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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)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C(=O)C(=C1)OCC2=CC=CC=C2)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H31N3O4/c1-21(2)23-8-9-24(28(32)27(18-23)35-20-22-6-4-3-5-7-22)19-29-14-16-30(17-15-29)25-10-12-26(13-11-25)31(33)34/h3-13,18,21H,14-17,19-20H2,1-2H3