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

Systemtic Name: 3-[[4-(azepan-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(azepan-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile CAS Name: 3-[[4-(1-azepanyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile IUPAC Name: 3-[[4-(azepan-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile Traditional Name: 3-[[4-(azepan-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile Formula: C27H29N5 MolecularWeight: 423.55266

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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=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5/c28-18-21-9-8-10-22(17-21)19-31-16-13-25-24(20-31)27(32-14-6-1-2-7-15-32)30-26(29-25)23-11-4-3-5-12-23/h3-5,8-12,17H,1-2,6-7,13-16,19-20H2