4-(azepan-1-yl)-N-(3-cyanophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

Systemtic Name: 4-(azepan-1-yl)-N-(3-cyanophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(azepan-1-yl)-N-(3-cyanophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1-azepanyl)-N-(3-cyanophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide IUPAC Name: 4-(azepan-1-yl)-N-(3-cyanophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(azepan-1-yl)-N-(3-cyanophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide Formula: C27H28N6O MolecularWeight: 452.55082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC3=C2CN(CC3)C(=O)NC4=CC=CC(=C4)C#N)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC3=C2CN(CC3)C(=O)NC4=CC=CC(=C4)C#N)C5=CC=CC=C5

InChI

InChI=1S/C27H28N6O/c28-18-20-9-8-12-22(17-20)29-27(34)33-16-13-24-23(19-33)26(32-14-6-1-2-7-15-32)31-25(30-24)21-10-4-3-5-11-21/h3-5,8-12,17H,1-2,6-7,13-16,19H2,(H,29,34)