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

Systemtic Name: 3-[5-[2-cyanoethyl-(2-methylphenyl)amino]-3-phenyl-3,4-dihydropyrazol-2-yl]-N-(3-methoxyphenyl)-3-oxidanylidene-propanamide Openeye Name: 3-[5-[N-(2-cyanoethyl)-2-methyl-anilino]-3-phenyl-3,4-dihydropyrazol-2-yl]-N-(3-methoxyphenyl)-3-oxo-propanamide CAS Name: 3-[5-[N-(2-cyanoethyl)-2-methylanilino]-3-phenyl-3,4-dihydropyrazol-2-yl]-N-(3-methoxyphenyl)-3-oxopropanamide IUPAC Name: 3-[5-[N-(2-cyanoethyl)-2-methylanilino]-3-phenyl-3,4-dihydropyrazol-2-yl]-N-(3-methoxyphenyl)-3-oxopropanamide Traditional Name: 3-[3-[N-(2-cyanoethyl)-2-methyl-anilino]-5-phenyl-2-pyrazolin-1-yl]-3-keto-N-(3-methoxyphenyl)propionamide Formula: C29H29N5O3 MolecularWeight: 495.57226

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C29H29N5O3/c1-21-10-6-7-15-25(21)33(17-9-16-30)27-19-26(22-11-4-3-5-12-22)34(32-27)29(36)20-28(35)31-23-13-8-14-24(18-23)37-2/h3-8,10-15,18,26H,9,17,19-20H2,1-2H3,(H,31,35)