4-[[4-[(1-phenyl-1,2,3-triazol-4-yl)carbonyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(1-phenyl-1,2,3-triazol-4-yl)carbonyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(1-phenyltriazole-4-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-(1-phenyl-4-triazolyl)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-(1-phenyltriazole-4-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(1-phenyltriazole-4-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C22H22N6O MolecularWeight: 386.44968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CN(N=N2)C3=CC=CC=C3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CN(N=N2)C3=CC=CC=C3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H22N6O/c23-15-18-7-9-19(10-8-18)16-26-11-4-12-27(14-13-26)22(29)21-17-28(25-24-21)20-5-2-1-3-6-20/h1-3,5-10,17H,4,11-14,16H2