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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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