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

Systemtic Name: 5-(azepan-1-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(azepan-1-yl)-2-(phenoxymethyl)oxazole-4-carbonitrile CAS Name: 5-(1-azepanyl)-2-(phenoxymethyl)-4-oxazolecarbonitrile IUPAC Name: 5-(azepan-1-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(azepan-1-yl)-2-(phenoxymethyl)oxazole-4-carbonitrile Formula: C17H19N3O2 MolecularWeight: 297.35166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(N=C(O2)COC3=CC=CC=C3)C#N

Isomeric SMILES

C1CCCN(CC1)C2=C(N=C(O2)COC3=CC=CC=C3)C#N

InChI

InChI=1S/C17H19N3O2/c18-12-15-17(20-10-6-1-2-7-11-20)22-16(19-15)13-21-14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-11,13H2