(E)-3-[5-[2-(4-methylphenyl)-1-phenoxy-ethyl]-1H-pyrrol-3-yl]-1-(2H-1,2,3,4-tetrazol-5-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[5-[2-(4-methylphenyl)-1-phenoxy-ethyl]-1H-pyrrol-3-yl]-1-(2H-1,2,3,4-tetrazol-5-yl)prop-2-en-1-one Openeye Name: (E)-3-[5-[1-phenoxy-2-(p-tolyl)ethyl]-1H-pyrrol-3-yl]-1-(2H-tetrazol-5-yl)prop-2-en-1-one CAS Name: (E)-3-[5-[2-(4-methylphenyl)-1-phenoxyethyl]-1H-pyrrol-3-yl]-1-(2H-tetrazol-5-yl)-2-propen-1-one IUPAC Name: (E)-3-[5-[2-(4-methylphenyl)-1-phenoxyethyl]-1H-pyrrol-3-yl]-1-(2H-tetrazol-5-yl)prop-2-en-1-one Traditional Name: (E)-3-[5-[1-phenoxy-2-(p-tolyl)ethyl]-1H-pyrrol-3-yl]-1-(2H-tetrazol-5-yl)prop-2-en-1-one Formula: C23H21N5O2 MolecularWeight: 399.44514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C2=CC(=CN2)C=CC(=O)C3=NNN=N3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CC(C2=CC(=CN2)/C=C/C(=O)C3=NNN=N3)OC4=CC=CC=C4

InChI

InChI=1S/C23H21N5O2/c1-16-7-9-17(10-8-16)14-22(30-19-5-3-2-4-6-19)20-13-18(15-24-20)11-12-21(29)23-25-27-28-26-23/h2-13,15,22,24H,14H2,1H3,(H,25,26,27,28)/b12-11+