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

Systemtic Name: 2-methoxy-7-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 4-isopropyl-2-methoxy-7-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-methoxy-7-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-methoxy-7-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 4-isopropyl-2-methoxy-7-[[4-(4-nitrophenyl)piperazino]methyl]cyclohepta-2,4,6-trien-1-one Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C(=O)C(=C1)OC)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C(=O)C(=C1)OC)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O4/c1-16(2)17-4-5-18(22(26)21(14-17)29-3)15-23-10-12-24(13-11-23)19-6-8-20(9-7-19)25(27)28/h4-9,14,16H,10-13,15H2,1-3H3