methyl 2-[1-[4-chloranyl-2-(4-cyanophenyl)pyrimidin-5-yl]carbonylpiperidin-4-yl]ethanoate

Systemtic Name: methyl 2-[1-[4-chloranyl-2-(4-cyanophenyl)pyrimidin-5-yl]carbonylpiperidin-4-yl]ethanoate Openeye Name: methyl 2-[1-[4-chloro-2-(4-cyanophenyl)pyrimidine-5-carbonyl]-4-piperidyl]acetate CAS Name: 2-[1-[[4-chloro-2-(4-cyanophenyl)-5-pyrimidinyl]-oxomethyl]-4-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[4-chloro-2-(4-cyanophenyl)pyrimidine-5-carbonyl]piperidin-4-yl]acetate Traditional Name: 2-[1-[4-chloro-2-(4-cyanophenyl)pyrimidine-5-carbonyl]-4-piperidyl]acetic acid methyl ester Formula: C20H19ClN4O3 MolecularWeight: 398.84286

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCN(CC1)C(=O)C2=CN=C(N=C2Cl)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)CC1CCN(CC1)C(=O)C2=CN=C(N=C2Cl)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H19ClN4O3/c1-28-17(26)10-13-6-8-25(9-7-13)20(27)16-12-23-19(24-18(16)21)15-4-2-14(11-22)3-5-15/h2-5,12-13H,6-10H2,1H3