3-[[4-(azepan-1-yl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(azepan-1-yl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(azepan-1-yl)-2-(2-pyridyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile CAS Name: 3-[[4-(1-azepanyl)-2-(2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile IUPAC Name: 3-[[4-(azepan-1-yl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile Traditional Name: 3-[[4-(azepan-1-yl)-2-(2-pyridyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile Formula: C26H28N6 MolecularWeight: 424.54072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC3=C2CN(CC3)CC4=CC=CC(=C4)C#N)C5=CC=CC=N5

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC3=C2CN(CC3)CC4=CC=CC(=C4)C#N)C5=CC=CC=N5

InChI

InChI=1S/C26H28N6/c27-17-20-8-7-9-21(16-20)18-31-15-11-23-22(19-31)26(32-13-5-1-2-6-14-32)30-25(29-23)24-10-3-4-12-28-24/h3-4,7-10,12,16H,1-2,5-6,11,13-15,18-19H2