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

Systemtic Name: 2-(azepan-1-yl)-6-phenyl-pyrimidine-4-carboxamide Openeye Name: 2-(azepan-1-yl)-6-phenyl-pyrimidine-4-carboxamide CAS Name: 2-(1-azepanyl)-6-phenyl-4-pyrimidinecarboxamide IUPAC Name: 2-(azepan-1-yl)-6-phenylpyrimidine-4-carboxamide Traditional Name: 2-(azepan-1-yl)-6-phenyl-pyrimidine-4-carboxamide Formula: C17H20N4O MolecularWeight: 296.3669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=CC(=N2)C(=O)N)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C2=NC(=CC(=N2)C(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C17H20N4O/c18-16(22)15-12-14(13-8-4-3-5-9-13)19-17(20-15)21-10-6-1-2-7-11-21/h3-5,8-9,12H,1-2,6-7,10-11H2,(H2,18,22)