5-[2-(4-aminophenyl)ethyl]-4-[(Z)-[5-(trifluoromethyl)pyrrol-2-ylidene]methyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-[2-(4-aminophenyl)ethyl]-4-[(Z)-[5-(trifluoromethyl)pyrrol-2-ylidene]methyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-[2-(4-aminophenyl)ethyl]-4-[(Z)-[5-(trifluoromethyl)pyrrol-2-ylidene]methyl]-1,2-dihydropyrazol-3-one CAS Name: 5-[2-(4-aminophenyl)ethyl]-4-[(Z)-[5-(trifluoromethyl)-2-pyrrolylidene]methyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-[2-(4-aminophenyl)ethyl]-4-[(Z)-[5-(trifluoromethyl)pyrrol-2-ylidene]methyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-[2-(4-aminophenyl)ethyl]-4-[(Z)-[5-(trifluoromethyl)pyrrol-2-ylidene]methyl]-3-pyrazolin-3-one Formula: C17H15F3N4O MolecularWeight: 348.32241

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC2=C(C(=O)NN2)C=C3C=CC(=N3)C(F)(F)F)N

Isomeric SMILES

C1=CC(=CC=C1CCC2=C(C(=O)NN2)/C=C\3/C=CC(=N3)C(F)(F)F)N

InChI

InChI=1S/C17H15F3N4O/c18-17(19,20)15-8-6-12(22-15)9-13-14(23-24-16(13)25)7-3-10-1-4-11(21)5-2-10/h1-2,4-6,8-9H,3,7,21H2,(H2,23,24,25)/b12-9-