[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]-(4-propoxyphenyl)methanone

Systemtic Name: [4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]-(4-propoxyphenyl)methanone Openeye Name: [4-[4-nitro-3-(1-piperidyl)phenyl]piperazin-1-yl]-(4-propoxyphenyl)methanone CAS Name: [4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-(4-propoxyphenyl)methanone IUPAC Name: [4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]-(4-propoxyphenyl)methanone Traditional Name: [4-(4-nitro-3-piperidino-phenyl)piperazino]-(4-propoxyphenyl)methanone Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C25H32N4O4/c1-2-18-33-22-9-6-20(7-10-22)25(30)28-16-14-26(15-17-28)21-8-11-23(29(31)32)24(19-21)27-12-4-3-5-13-27/h6-11,19H,2-5,12-18H2,1H3