3-[[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxidanylidene-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxidanylidene-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[(5-methylisoxazol-3-yl)methyl]-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[(5-methyl-3-isoxazolyl)methyl]-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 3-[[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 3-[[5-keto-4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C18H20N4O2 MolecularWeight: 324.377

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCN(CCC2=O)CC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC(=NO1)CN2CCN(CCC2=O)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H20N4O2/c1-14-9-17(20-24-14)13-22-8-7-21(6-5-18(22)23)12-16-4-2-3-15(10-16)11-19/h2-4,9-10H,5-8,12-13H2,1H3