5-(butylamino)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(butylamino)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(butylamino)-2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]oxazole-4-carbonitrile CAS Name: 5-(butylamino)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(butylamino)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(butylamino)-2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]oxazole-4-carbonitrile Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(N=C(O1)C=CC2=CC(=C(C=C2)OC)OC)C#N

Isomeric SMILES

CCCCNC1=C(N=C(O1)/C=C/C2=CC(=C(C=C2)OC)OC)C#N

InChI

InChI=1S/C18H21N3O3/c1-4-5-10-20-18-14(12-19)21-17(24-18)9-7-13-6-8-15(22-2)16(11-13)23-3/h6-9,11,20H,4-5,10H2,1-3H3/b9-7+