(E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]prop-2-enamide Openeye Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[(2S)-2-methyl-2,3-dihydrobenzofuran-5-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-[3-(1-imidazolyl)propyl]-3-[(2S)-2-methyl-2,3-dihydrobenzofuran-5-yl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]prop-2-enamide Traditional Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[(2S)-2-methylcoumaran-5-yl]acrylamide Formula: C19H20N4O2 MolecularWeight: 336.3877

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=CC(=C2)C=C(C#N)C(=O)NCCCN3C=CN=C3

Isomeric SMILES

C[C@H]1CC2=C(O1)C=CC(=C2)/C=C(\C#N)/C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C19H20N4O2/c1-14-9-16-10-15(3-4-18(16)25-14)11-17(12-20)19(24)22-5-2-7-23-8-6-21-13-23/h3-4,6,8,10-11,13-14H,2,5,7,9H2,1H3,(H,22,24)/b17-11+/t14-/m0/s1