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

Systemtic Name: (3-chloranyl-4-methyl-phenyl)-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]methanone Openeye Name: (3-chloro-4-methyl-phenyl)-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazin-1-yl]methanone CAS Name: (3-chloro-4-methylphenyl)-[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (3-chloro-4-methylphenyl)-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]methanone Traditional Name: (3-chloro-4-methyl-phenyl)-[4-(4-nitro-3-piperidino-phenyl)piperazino]methanone Formula: C23H27ClN4O3 MolecularWeight: 442.93848

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN4O3/c1-17-5-6-18(15-20(17)24)23(29)27-13-11-25(12-14-27)19-7-8-21(28(30)31)22(16-19)26-9-3-2-4-10-26/h5-8,15-16H,2-4,9-14H2,1H3