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

Systemtic Name: 7-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-4-propan-2-yl-2-propoxy-cyclohepta-2,4,6-trien-1-one Openeye Name: 4-isopropyl-7-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-2-propoxy-cyclohepta-2,4,6-trien-1-one CAS Name: 7-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-4-propan-2-yl-2-propoxy-1-cyclohepta-2,4,6-trienone IUPAC Name: 7-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-4-propan-2-yl-2-propoxycyclohepta-2,4,6-trien-1-one Traditional Name: 4-isopropyl-7-[[4-(4-nitrophenyl)piperazino]methyl]-2-propoxy-cyclohepta-2,4,6-trien-1-one Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=CC=C(C1=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C(C)C

Isomeric SMILES

CCCOC1=CC(=CC=C(C1=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C24H31N3O4/c1-4-15-31-23-16-19(18(2)3)5-6-20(24(23)28)17-25-11-13-26(14-12-25)21-7-9-22(10-8-21)27(29)30/h5-10,16,18H,4,11-15,17H2,1-3H3