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

Systemtic Name: 3-[[4-(azepan-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]carbonyl]benzenecarbonitrile Openeye Name: 3-[4-(azepan-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]benzonitrile CAS Name: 3-[[4-(1-azepanyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(azepan-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]benzonitrile Traditional Name: 3-[4-(azepan-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]benzonitrile Formula: C27H27N5O MolecularWeight: 437.53618

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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=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H27N5O/c28-18-20-9-8-12-22(17-20)27(33)32-16-13-24-23(19-32)26(31-14-6-1-2-7-15-31)30-25(29-24)21-10-4-3-5-11-21/h3-5,8-12,17H,1-2,6-7,13-16,19H2