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

Systemtic Name: 2-ethoxy-7-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-ethoxy-4-isopropyl-7-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-ethoxy-7-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-ethoxy-7-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 2-ethoxy-4-isopropyl-7-[[4-(4-nitrophenyl)piperazino]methyl]cyclohepta-2,4,6-trien-1-one Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC=C(C1=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C(C)C

Isomeric SMILES

CCOC1=CC(=CC=C(C1=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C23H29N3O4/c1-4-30-22-15-18(17(2)3)5-6-19(23(22)27)16-24-11-13-25(14-12-24)20-7-9-21(10-8-20)26(28)29/h5-10,15,17H,4,11-14,16H2,1-3H3