2-methyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-5-nitro-pyridine-3-carboxamide

Systemtic Name: 2-methyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-5-nitro-pyridine-3-carboxamide Openeye Name: 2-methyl-N-[2-[4-(m-tolyl)piperazin-1-yl]ethyl]-5-nitro-pyridine-3-carboxamide CAS Name: 2-methyl-N-[2-[4-(3-methylphenyl)-1-piperazinyl]ethyl]-5-nitro-3-pyridinecarboxamide IUPAC Name: 2-methyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-5-nitropyridine-3-carboxamide Traditional Name: 2-methyl-N-[2-[4-(m-tolyl)piperazino]ethyl]-5-nitro-nicotinamide Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCNC(=O)C3=CC(=CN=C3C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCNC(=O)C3=CC(=CN=C3C)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O3/c1-15-4-3-5-17(12-15)24-10-8-23(9-11-24)7-6-21-20(26)19-13-18(25(27)28)14-22-16(19)2/h3-5,12-14H,6-11H2,1-2H3,(H,21,26)