5-(azepan-1-yl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(azepan-1-yl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(azepan-1-yl)-2-[(E)-2-(2-methoxyphenyl)vinyl]oxazole-4-carbonitrile CAS Name: 5-(1-azepanyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(azepan-1-yl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(azepan-1-yl)-2-[(E)-2-(2-methoxyphenyl)vinyl]oxazole-4-carbonitrile Formula: C19H21N3O2 MolecularWeight: 323.38894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC2=NC(=C(O2)N3CCCCCC3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O2/c1-23-17-9-5-4-8-15(17)10-11-18-21-16(14-20)19(24-18)22-12-6-2-3-7-13-22/h4-5,8-11H,2-3,6-7,12-13H2,1H3/b11-10+