3-[5-[2-cyanoethyl-(2-methylphenyl)amino]-3-phenyl-3,4-dihydropyrazol-2-yl]-3-oxidanylidene-N-phenyl-propanamide

Systemtic Name: 3-[5-[2-cyanoethyl-(2-methylphenyl)amino]-3-phenyl-3,4-dihydropyrazol-2-yl]-3-oxidanylidene-N-phenyl-propanamide Openeye Name: 3-[5-[N-(2-cyanoethyl)-2-methyl-anilino]-3-phenyl-3,4-dihydropyrazol-2-yl]-3-oxo-N-phenyl-propanamide CAS Name: 3-[5-[N-(2-cyanoethyl)-2-methylanilino]-3-phenyl-3,4-dihydropyrazol-2-yl]-3-oxo-N-phenylpropanamide IUPAC Name: 3-[5-[N-(2-cyanoethyl)-2-methylanilino]-3-phenyl-3,4-dihydropyrazol-2-yl]-3-oxo-N-phenylpropanamide Traditional Name: 3-[3-[N-(2-cyanoethyl)-2-methyl-anilino]-5-phenyl-2-pyrazolin-1-yl]-3-keto-N-phenyl-propionamide Formula: C28H27N5O2 MolecularWeight: 465.54628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CCC#N)C2=NN(C(C2)C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N(CCC#N)C2=NN(C(C2)C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C28H27N5O2/c1-21-11-8-9-16-24(21)32(18-10-17-29)26-19-25(22-12-4-2-5-13-22)33(31-26)28(35)20-27(34)30-23-14-6-3-7-15-23/h2-9,11-16,25H,10,18-20H2,1H3,(H,30,34)