1-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-N,N-dimethyl-piperidine-3-carboxamide

Systemtic Name: 1-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-N,N-dimethyl-piperidine-3-carboxamide Openeye Name: 1-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-N,N-dimethyl-piperidine-3-carboxamide CAS Name: 1-[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-N,N-dimethyl-3-piperidinecarboxamide IUPAC Name: 1-[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide Traditional Name: 1-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-N,N-dimethyl-nipecotamide Formula: C18H21ClN6O3 MolecularWeight: 404.85074

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CCCN(C1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

CN(C)C(=O)C1CCCN(C1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H21ClN6O3/c1-23(2)17(26)12-4-3-9-24(11-12)16-15(25(27)28)10-20-18(22-16)21-14-7-5-13(19)6-8-14/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,20,21,22)