(E)-4-(benzotriazol-1-yl)-4-ethoxy-1,6-diphenyl-hex-1-en-5-yn-3-one

Systemtic Name: (E)-4-(benzotriazol-1-yl)-4-ethoxy-1,6-diphenyl-hex-1-en-5-yn-3-one Openeye Name: (E)-4-(benzotriazol-1-yl)-4-ethoxy-1,6-diphenyl-hex-1-en-5-yn-3-one CAS Name: (E)-4-(1-benzotriazolyl)-4-ethoxy-1,6-diphenyl-3-hex-1-en-5-ynone IUPAC Name: (E)-4-(benzotriazol-1-yl)-4-ethoxy-1,6-diphenylhex-1-en-5-yn-3-one Traditional Name: (E)-4-(benzotriazol-1-yl)-4-ethoxy-1,6-diphenyl-hex-1-en-5-yn-3-one Formula: C26H21N3O2 MolecularWeight: 407.46384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C#CC1=CC=CC=C1)(C(=O)C=CC2=CC=CC=C2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CCOC(C#CC1=CC=CC=C1)(C(=O)/C=C/C2=CC=CC=C2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C26H21N3O2/c1-2-31-26(20-19-22-13-7-4-8-14-22,25(30)18-17-21-11-5-3-6-12-21)29-24-16-10-9-15-23(24)27-28-29/h3-18H,2H2,1H3/b18-17+