2-(azepan-1-yl)-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-(azepan-1-yl)-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(azepan-1-yl)-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 2-(1-azepanyl)-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(azepan-1-yl)-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(azepan-1-yl)-4-keto-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C17H18N4O MolecularWeight: 294.35102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O/c18-12-14-15(13-8-4-3-5-9-13)19-17(20-16(14)22)21-10-6-1-2-7-11-21/h3-5,8-9H,1-2,6-7,10-11H2,(H,19,20,22)