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

Systemtic Name: (3-ethoxyphenyl)-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]methanone Openeye Name: (3-ethoxyphenyl)-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazin-1-yl]methanone CAS Name: (3-ethoxyphenyl)-[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (3-ethoxyphenyl)-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]methanone Traditional Name: m-phenetyl-[4-(4-nitro-3-piperidino-phenyl)piperazino]methanone Formula: C24H30N4O4 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C24H30N4O4/c1-2-32-21-8-6-7-19(17-21)24(29)27-15-13-25(14-16-27)20-9-10-22(28(30)31)23(18-20)26-11-4-3-5-12-26/h6-10,17-18H,2-5,11-16H2,1H3