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

Systemtic Name: 4-(azepan-1-yl)-N-(3-cyanophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(azepan-1-yl)-N-(3-cyanophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1-azepanyl)-N-(3-cyanophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide IUPAC Name: 4-(azepan-1-yl)-N-(3-cyanophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(azepan-1-yl)-N-(3-cyanophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide Formula: C22H26N6O MolecularWeight: 390.48144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(CN(CC2)C(=O)NC3=CC=CC(=C3)C#N)C(=N1)N4CCCCCC4

Isomeric SMILES

CC1=NC2=C(CN(CC2)C(=O)NC3=CC=CC(=C3)C#N)C(=N1)N4CCCCCC4

InChI

InChI=1S/C22H26N6O/c1-16-24-20-9-12-28(22(29)26-18-8-6-7-17(13-18)14-23)15-19(20)21(25-16)27-10-4-2-3-5-11-27/h6-8,13H,2-5,9-12,15H2,1H3,(H,26,29)