N-(cyanomethyl)-2-[2-(2-methoxypyrimidin-5-yl)phenyl]cyclohexane-1-carboxamide

Systemtic Name: N-(cyanomethyl)-2-[2-(2-methoxypyrimidin-5-yl)phenyl]cyclohexane-1-carboxamide Openeye Name: N-(cyanomethyl)-2-[2-(2-methoxypyrimidin-5-yl)phenyl]cyclohexanecarboxamide CAS Name: N-(cyanomethyl)-2-[2-(2-methoxy-5-pyrimidinyl)phenyl]-1-cyclohexanecarboxamide IUPAC Name: N-(cyanomethyl)-2-[2-(2-methoxypyrimidin-5-yl)phenyl]cyclohexane-1-carboxamide Traditional Name: N-(cyanomethyl)-2-[2-(2-methoxypyrimidin-5-yl)phenyl]cyclohexanecarboxamide Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=N1)C2=CC=CC=C2C3CCCCC3C(=O)NCC#N

Isomeric SMILES

COC1=NC=C(C=N1)C2=CC=CC=C2C3CCCCC3C(=O)NCC#N

InChI

InChI=1S/C20H22N4O2/c1-26-20-23-12-14(13-24-20)15-6-2-3-7-16(15)17-8-4-5-9-18(17)19(25)22-11-10-21/h2-3,6-7,12-13,17-18H,4-5,8-9,11H2,1H3,(H,22,25)