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

Systemtic Name: 5-(azepan-1-yl)-2-(4-chlorophenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(azepan-1-yl)-2-(4-chlorophenyl)oxazole-4-carbonitrile CAS Name: 5-(1-azepanyl)-2-(4-chlorophenyl)-4-oxazolecarbonitrile IUPAC Name: 5-(azepan-1-yl)-2-(4-chlorophenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(azepan-1-yl)-2-(4-chlorophenyl)oxazole-4-carbonitrile Formula: C16H16ClN3O MolecularWeight: 301.77074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1CCCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C16H16ClN3O/c17-13-7-5-12(6-8-13)15-19-14(11-18)16(21-15)20-9-3-1-2-4-10-20/h5-8H,1-4,9-10H2