1-[2-[(4-chlorophenyl)amino]-6-methyl-pyrimidin-4-yl]-N,N-diethyl-piperidine-3-carboxamide

Systemtic Name: 1-[2-[(4-chlorophenyl)amino]-6-methyl-pyrimidin-4-yl]-N,N-diethyl-piperidine-3-carboxamide Openeye Name: 1-[2-(4-chloroanilino)-6-methyl-pyrimidin-4-yl]-N,N-diethyl-piperidine-3-carboxamide CAS Name: 1-[2-(4-chloroanilino)-6-methyl-4-pyrimidinyl]-N,N-diethyl-3-piperidinecarboxamide IUPAC Name: 1-[2-(4-chloroanilino)-6-methylpyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide Traditional Name: 1-[2-(4-chloroanilino)-6-methyl-pyrimidin-4-yl]-N,N-diethyl-nipecotamide Formula: C21H28ClN5O MolecularWeight: 401.93292

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)C2=NC(=NC(=C2)C)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CCN(CC)C(=O)C1CCCN(C1)C2=NC(=NC(=C2)C)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H28ClN5O/c1-4-26(5-2)20(28)16-7-6-12-27(14-16)19-13-15(3)23-21(25-19)24-18-10-8-17(22)9-11-18/h8-11,13,16H,4-7,12,14H2,1-3H3,(H,23,24,25)