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

Systemtic Name: 3-[[4-(azepan-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]sulfonyl]benzenecarbonitrile Openeye Name: 3-[[4-(azepan-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]sulfonyl]benzonitrile CAS Name: 3-[[4-(1-azepanyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]sulfonyl]benzonitrile IUPAC Name: 3-[[4-(azepan-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]sulfonyl]benzonitrile Traditional Name: 3-[[4-(azepan-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]sulfonyl]benzonitrile Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O2S/c1-16-23-20-9-12-26(29(27,28)18-8-6-7-17(13-18)14-22)15-19(20)21(24-16)25-10-4-2-3-5-11-25/h6-8,13H,2-5,9-12,15H2,1H3