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

Systemtic Name: 3-[[4-(azepan-1-yl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]carbonyl]benzenecarbonitrile Openeye Name: 3-[4-(azepan-1-yl)-2-(3-pyridyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]benzonitrile CAS Name: 3-[[4-(1-azepanyl)-2-(3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(azepan-1-yl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]benzonitrile Traditional Name: 3-[4-(azepan-1-yl)-2-(3-pyridyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]benzonitrile Formula: C26H26N6O MolecularWeight: 438.52424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N6O/c27-16-19-7-5-8-20(15-19)26(33)32-14-10-23-22(18-32)25(31-12-3-1-2-4-13-31)30-24(29-23)21-9-6-11-28-17-21/h5-9,11,15,17H,1-4,10,12-14,18H2