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

Systemtic Name: 5-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)oxazole-4-carbonitrile CAS Name: 5-(1-azepanyl)-2-(3,4-dimethoxyphenyl)-4-oxazolecarbonitrile IUPAC Name: 5-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)oxazole-4-carbonitrile Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=C(O2)N3CCCCCC3)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=C(O2)N3CCCCCC3)C#N)OC

InChI

InChI=1S/C18H21N3O3/c1-22-15-8-7-13(11-16(15)23-2)17-20-14(12-19)18(24-17)21-9-5-3-4-6-10-21/h7-8,11H,3-6,9-10H2,1-2H3