3-[5-[[6-(2-cyanoethyl)-6-methyl-cyclohexa-2,4-dien-1-yl]amino]-3-phenyl-3,4-dihydropyrazol-2-yl]-3-oxidanylidene-N-phenyl-propanamide

Systemtic Name: 3-[5-[[6-(2-cyanoethyl)-6-methyl-cyclohexa-2,4-dien-1-yl]amino]-3-phenyl-3,4-dihydropyrazol-2-yl]-3-oxidanylidene-N-phenyl-propanamide Openeye Name: 3-[5-[[6-(2-cyanoethyl)-6-methyl-cyclohexa-2,4-dien-1-yl]amino]-3-phenyl-3,4-dihydropyrazol-2-yl]-3-oxo-N-phenyl-propanamide CAS Name: 3-[5-[[6-(2-cyanoethyl)-6-methyl-1-cyclohexa-2,4-dienyl]amino]-3-phenyl-3,4-dihydropyrazol-2-yl]-3-oxo-N-phenylpropanamide IUPAC Name: 3-[5-[[6-(2-cyanoethyl)-6-methylcyclohexa-2,4-dien-1-yl]amino]-3-phenyl-3,4-dihydropyrazol-2-yl]-3-oxo-N-phenylpropanamide Traditional Name: 3-[3-[[6-(2-cyanoethyl)-6-methyl-cyclohexa-2,4-dien-1-yl]amino]-5-phenyl-2-pyrazolin-1-yl]-3-keto-N-phenyl-propionamide Formula: C28H29N5O2 MolecularWeight: 467.56216

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC=CC1NC2=NN(C(C2)C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=CC=C4)CCC#N

Isomeric SMILES

CC1(C=CC=CC1NC2=NN(C(C2)C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=CC=C4)CCC#N

InChI

InChI=1S/C28H29N5O2/c1-28(17-10-18-29)16-9-8-15-24(28)31-25-19-23(21-11-4-2-5-12-21)33(32-25)27(35)20-26(34)30-22-13-6-3-7-14-22/h2-9,11-16,23-24H,10,17,19-20H2,1H3,(H,30,34)(H,31,32)