2-(azepan-1-yl)-6-(4-methoxyphenyl)pyrimidine-4-carbonitrile

Systemtic Name: 2-(azepan-1-yl)-6-(4-methoxyphenyl)pyrimidine-4-carbonitrile Openeye Name: 2-(azepan-1-yl)-6-(4-methoxyphenyl)pyrimidine-4-carbonitrile CAS Name: 2-(1-azepanyl)-6-(4-methoxyphenyl)-4-pyrimidinecarbonitrile IUPAC Name: 2-(azepan-1-yl)-6-(4-methoxyphenyl)pyrimidine-4-carbonitrile Traditional Name: 2-(azepan-1-yl)-6-(4-methoxyphenyl)pyrimidine-4-carbonitrile Formula: C18H20N4O MolecularWeight: 308.3776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NC(=C2)C#N)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NC(=C2)C#N)N3CCCCCC3

InChI

InChI=1S/C18H20N4O/c1-23-16-8-6-14(7-9-16)17-12-15(13-19)20-18(21-17)22-10-4-2-3-5-11-22/h6-9,12H,2-5,10-11H2,1H3