methyl 4-[[4-chloranyl-2-(4-cyanophenyl)pyrimidin-5-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[4-chloranyl-2-(4-cyanophenyl)pyrimidin-5-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[4-chloro-2-(4-cyanophenyl)pyrimidine-5-carbonyl]-methyl-amino]cyclohexanecarboxylate CAS Name: 4-[[[4-chloro-2-(4-cyanophenyl)-5-pyrimidinyl]-oxomethyl]-methylamino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-chloro-2-(4-cyanophenyl)pyrimidine-5-carbonyl]-methylamino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-chloro-2-(4-cyanophenyl)pyrimidine-5-carbonyl]-methyl-amino]cyclohexanecarboxylic acid methyl ester Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(CC1)C(=O)OC)C(=O)C2=CN=C(N=C2Cl)C3=CC=C(C=C3)C#N

Isomeric SMILES

CN(C1CCC(CC1)C(=O)OC)C(=O)C2=CN=C(N=C2Cl)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H21ClN4O3/c1-26(16-9-7-15(8-10-16)21(28)29-2)20(27)17-12-24-19(25-18(17)22)14-5-3-13(11-23)4-6-14/h3-6,12,15-16H,7-10H2,1-2H3