3-(3-chloranyl-4-methyl-phenyl)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]propan-1-one Openeye Name: 3-(3-chloro-4-methyl-phenyl)-1-[4-(6-nitro-3-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 3-(3-chloro-4-methylphenyl)-1-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(3-chloro-4-methylphenyl)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-(3-chloro-4-methyl-phenyl)-1-[4-(6-nitro-3-pyridyl)piperazino]propan-1-one Formula: C19H21ClN4O3 MolecularWeight: 388.84804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN4O3/c1-14-2-3-15(12-17(14)20)4-7-19(25)23-10-8-22(9-11-23)16-5-6-18(21-13-16)24(26)27/h2-3,5-6,12-13H,4,7-11H2,1H3