3-(methylamino)-7-phenyl-1-pyrimidin-4-yl-azepan-2-one

Systemtic Name: 3-(methylamino)-7-phenyl-1-pyrimidin-4-yl-azepan-2-one Openeye Name: 3-(methylamino)-7-phenyl-1-pyrimidin-4-yl-azepan-2-one CAS Name: 3-(methylamino)-7-phenyl-1-(4-pyrimidinyl)-2-azepanone IUPAC Name: 3-(methylamino)-7-phenyl-1-pyrimidin-4-ylazepan-2-one Traditional Name: 3-(methylamino)-7-phenyl-1-(4-pyrimidyl)azepan-2-one Formula: C17H20N4O MolecularWeight: 296.3669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1CCCC(N(C1=O)C2=NC=NC=C2)C3=CC=CC=C3

Isomeric SMILES

CNC1CCCC(N(C1=O)C2=NC=NC=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H20N4O/c1-18-14-8-5-9-15(13-6-3-2-4-7-13)21(17(14)22)16-10-11-19-12-20-16/h2-4,6-7,10-12,14-15,18H,5,8-9H2,1H3