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

Systemtic Name: (3,4-dimethylphenyl)-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]methanone Openeye Name: (3,4-dimethylphenyl)-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazin-1-yl]methanone CAS Name: (3,4-dimethylphenyl)-[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (3,4-dimethylphenyl)-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]methanone Traditional Name: (3,4-dimethylphenyl)-[4-(4-nitro-3-piperidino-phenyl)piperazino]methanone Formula: C24H30N4O3 MolecularWeight: 422.52

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4)C

InChI

InChI=1S/C24H30N4O3/c1-18-6-7-20(16-19(18)2)24(29)27-14-12-25(13-15-27)21-8-9-22(28(30)31)23(17-21)26-10-4-3-5-11-26/h6-9,16-17H,3-5,10-15H2,1-2H3