(E)-3-[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]-1-cyclopropyl-prop-2-en-1-one

Systemtic Name: (E)-3-[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]-1-cyclopropyl-prop-2-en-1-one Openeye Name: (E)-3-[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]-1-cyclopropyl-prop-2-en-1-one CAS Name: (E)-3-[3-(1-benzotriazolylmethyl)-4-methoxyphenyl]-1-cyclopropyl-2-propen-1-one IUPAC Name: (E)-3-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-1-cyclopropylprop-2-en-1-one Traditional Name: (E)-3-[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]-1-cyclopropyl-prop-2-en-1-one Formula: C20H19N3O2 MolecularWeight: 333.38376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2CC2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2CC2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H19N3O2/c1-25-20-11-7-14(6-10-19(24)15-8-9-15)12-16(20)13-23-18-5-3-2-4-17(18)21-22-23/h2-7,10-12,15H,8-9,13H2,1H3/b10-6+