5-(azepan-1-yl)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(azepan-1-yl)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(azepan-1-yl)-2-(m-tolyl)oxazole-4-carbonitrile CAS Name: 5-(1-azepanyl)-2-(3-methylphenyl)-4-oxazolecarbonitrile IUPAC Name: 5-(azepan-1-yl)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(azepan-1-yl)-2-(m-tolyl)oxazole-4-carbonitrile Formula: C17H19N3O MolecularWeight: 281.35226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=C(O2)N3CCCCCC3)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=C(O2)N3CCCCCC3)C#N

InChI

InChI=1S/C17H19N3O/c1-13-7-6-8-14(11-13)16-19-15(12-18)17(21-16)20-9-4-2-3-5-10-20/h6-8,11H,2-5,9-10H2,1H3