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

Systemtic Name: 2-butoxy-7-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-butoxy-4-isopropyl-7-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-butoxy-7-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-butoxy-7-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 2-butoxy-4-isopropyl-7-[[4-(4-nitrophenyl)piperazino]methyl]cyclohepta-2,4,6-trien-1-one Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=CC=C(C1=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C(C)C

Isomeric SMILES

CCCCOC1=CC(=CC=C(C1=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C25H33N3O4/c1-4-5-16-32-24-17-20(19(2)3)6-7-21(25(24)29)18-26-12-14-27(15-13-26)22-8-10-23(11-9-22)28(30)31/h6-11,17,19H,4-5,12-16,18H2,1-3H3