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

Systemtic Name: 3-[[4-(azepan-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]carbonyl]benzenecarbonitrile Openeye Name: 3-[4-(azepan-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]benzonitrile CAS Name: 3-[[4-(1-azepanyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(azepan-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]benzonitrile Traditional Name: 3-[4-(azepan-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]benzonitrile Formula: C22H25N5O MolecularWeight: 375.4668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O/c1-16-24-20-9-12-27(22(28)18-8-6-7-17(13-18)14-23)15-19(20)21(25-16)26-10-4-2-3-5-11-26/h6-8,13H,2-5,9-12,15H2,1H3