2-(azepan-1-yl)-N-methyl-6-phenyl-pyrimidine-4-carboxamide

Systemtic Name: 2-(azepan-1-yl)-N-methyl-6-phenyl-pyrimidine-4-carboxamide Openeye Name: 2-(azepan-1-yl)-N-methyl-6-phenyl-pyrimidine-4-carboxamide CAS Name: 2-(1-azepanyl)-N-methyl-6-phenyl-4-pyrimidinecarboxamide IUPAC Name: 2-(azepan-1-yl)-N-methyl-6-phenylpyrimidine-4-carboxamide Traditional Name: 2-(azepan-1-yl)-N-methyl-6-phenyl-pyrimidine-4-carboxamide Formula: C18H22N4O MolecularWeight: 310.39348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NC(=NC(=C1)C2=CC=CC=C2)N3CCCCCC3

Isomeric SMILES

CNC(=O)C1=NC(=NC(=C1)C2=CC=CC=C2)N3CCCCCC3

InChI

InChI=1S/C18H22N4O/c1-19-17(23)16-13-15(14-9-5-4-6-10-14)20-18(21-16)22-11-7-2-3-8-12-22/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3,(H,19,23)