benzene; (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)prop-2-enamide

Systemtic Name: benzene; (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)prop-2-enamide Openeye Name: benzene; (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)prop-2-enamide CAS Name: benzene; (E)-2-cyano-N-[3-(1-imidazolyl)propyl]-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: benzene; (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: benzene; (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)acrylamide Formula: C23H24N4O2 MolecularWeight: 388.46226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C#N)C(=O)NCCCN2C=CN=C2.C1=CC=CC=C1

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NCCCN2C=CN=C2.C1=CC=CC=C1

InChI

InChI=1S/C17H18N4O2.C6H6/c1-23-16-5-3-14(4-6-16)11-15(12-18)17(22)20-7-2-9-21-10-8-19-13-21;1-2-4-6-5-3-1/h3-6,8,10-11,13H,2,7,9H2,1H3,(H,20,22);1-6H/b15-11+;