(E)-3-[2-(benzotriazol-1-ylmethoxy)-4-(diethylamino)phenyl]-2-cyano-prop-2-enamide

Systemtic Name: (E)-3-[2-(benzotriazol-1-ylmethoxy)-4-(diethylamino)phenyl]-2-cyano-prop-2-enamide Openeye Name: (E)-3-[2-(benzotriazol-1-ylmethoxy)-4-(diethylamino)phenyl]-2-cyano-prop-2-enamide CAS Name: (E)-3-[2-(1-benzotriazolylmethoxy)-4-(diethylamino)phenyl]-2-cyano-2-propenamide IUPAC Name: (E)-3-[2-(benzotriazol-1-ylmethoxy)-4-(diethylamino)phenyl]-2-cyanoprop-2-enamide Traditional Name: (E)-3-[2-(benzotriazol-1-ylmethoxy)-4-(diethylamino)phenyl]-2-cyano-acrylamide Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C=C(C#N)C(=O)N)OCN2C3=CC=CC=C3N=N2

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)/C=C(\C#N)/C(=O)N)OCN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C21H22N6O2/c1-3-26(4-2)17-10-9-15(11-16(13-22)21(23)28)20(12-17)29-14-27-19-8-6-5-7-18(19)24-25-27/h5-12H,3-4,14H2,1-2H3,(H2,23,28)/b16-11+