N-[3-(2-methylpyrimidin-4-yl)phenyl]-1-pyrazin-2-yl-piperidine-3-carboxamide

Systemtic Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-1-pyrazin-2-yl-piperidine-3-carboxamide Openeye Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-1-pyrazin-2-yl-piperidine-3-carboxamide CAS Name: N-[3-(2-methyl-4-pyrimidinyl)phenyl]-1-(2-pyrazinyl)-3-piperidinecarboxamide IUPAC Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide Traditional Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-1-pyrazin-2-yl-nipecotamide Formula: C21H22N6O MolecularWeight: 374.43898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C3CCCN(C3)C4=NC=CN=C4

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C3CCCN(C3)C4=NC=CN=C4

InChI

InChI=1S/C21H22N6O/c1-15-23-8-7-19(25-15)16-4-2-6-18(12-16)26-21(28)17-5-3-11-27(14-17)20-13-22-9-10-24-20/h2,4,6-10,12-13,17H,3,5,11,14H2,1H3,(H,26,28)