N-[4-[[4-(dimethylamino)-6-methyl-pyridin-2-yl]amino]cyclohexyl]-3-nitro-benzamide

Systemtic Name: N-[4-[[4-(dimethylamino)-6-methyl-pyridin-2-yl]amino]cyclohexyl]-3-nitro-benzamide Openeye Name: N-[4-[[4-(dimethylamino)-6-methyl-2-pyridyl]amino]cyclohexyl]-3-nitro-benzamide CAS Name: N-[4-[[4-(dimethylamino)-6-methyl-2-pyridinyl]amino]cyclohexyl]-3-nitrobenzamide IUPAC Name: N-[4-[[4-(dimethylamino)-6-methylpyridin-2-yl]amino]cyclohexyl]-3-nitrobenzamide Traditional Name: N-[4-[[4-(dimethylamino)-6-methyl-2-pyridyl]amino]cyclohexyl]-3-nitro-benzamide Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=C1)N(C)C)NC2CCC(CC2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CC(=C1)N(C)C)NC2CCC(CC2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O3/c1-14-11-19(25(2)3)13-20(22-14)23-16-7-9-17(10-8-16)24-21(27)15-5-4-6-18(12-15)26(28)29/h4-6,11-13,16-17H,7-10H2,1-3H3,(H,22,23)(H,24,27)