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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CN2CCCN(CC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=NOC(=C1)CN2CCCN(CC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H20N4O/c1-14-11-17(22-19-14)13-20-7-2-8-21(10-9-20)16-5-3-15(12-18)4-6-16/h3-6,11H,2,7-10,13H2,1H3