N-[[1-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]piperidin-4-yl]methyl]-N-methyl-ethanamide

Systemtic Name: N-[[1-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]piperidin-4-yl]methyl]-N-methyl-ethanamide Openeye Name: N-[[1-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-4-piperidyl]methyl]-N-methyl-acetamide CAS Name: N-[[1-[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-4-piperidinyl]methyl]-N-methylacetamide IUPAC Name: N-[[1-[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]piperidin-4-yl]methyl]-N-methylacetamide Traditional Name: N-[[1-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-4-piperidyl]methyl]-N-methyl-acetamide Formula: C19H23ClN6O3 MolecularWeight: 418.87732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)CC1CCN(CC1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)N(C)CC1CCN(CC1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H23ClN6O3/c1-13(27)24(2)12-14-7-9-25(10-8-14)18-17(26(28)29)11-21-19(23-18)22-16-5-3-15(20)4-6-16/h3-6,11,14H,7-10,12H2,1-2H3,(H,21,22,23)