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

Systemtic Name: 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]benzenecarbonitrile Openeye Name: 2-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]benzonitrile CAS Name: 2-[4-[(5-methyl-3-isoxazolyl)methyl]-1,4-diazepan-1-yl]benzonitrile IUPAC Name: 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]benzonitrile Traditional Name: 2-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]benzonitrile Formula: C17H20N4O MolecularWeight: 296.3669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)C3=CC=CC=C3C#N

InChI

InChI=1S/C17H20N4O/c1-14-11-16(19-22-14)13-20-7-4-8-21(10-9-20)17-6-3-2-5-15(17)12-18/h2-3,5-6,11H,4,7-10,13H2,1H3