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

Systemtic Name: 3-[5-[2-cyanoethyl-(3-methylphenyl)amino]-3-phenyl-3,4-dihydropyrazol-2-yl]-N-(4-methylphenyl)-3-oxidanylidene-propanamide Openeye Name: 3-[5-[N-(2-cyanoethyl)-3-methyl-anilino]-3-phenyl-3,4-dihydropyrazol-2-yl]-3-oxo-N-(p-tolyl)propanamide CAS Name: 3-[5-[N-(2-cyanoethyl)-3-methylanilino]-3-phenyl-3,4-dihydropyrazol-2-yl]-N-(4-methylphenyl)-3-oxopropanamide IUPAC Name: 3-[5-[N-(2-cyanoethyl)-3-methylanilino]-3-phenyl-3,4-dihydropyrazol-2-yl]-N-(4-methylphenyl)-3-oxopropanamide Traditional Name: 3-[3-[N-(2-cyanoethyl)-3-methyl-anilino]-5-phenyl-2-pyrazolin-1-yl]-3-keto-N-(p-tolyl)propionamide Formula: C29H29N5O2 MolecularWeight: 479.57286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(CC(=N2)N(CCC#N)C3=CC=CC(=C3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(CC(=N2)N(CCC#N)C3=CC=CC(=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C29H29N5O2/c1-21-12-14-24(15-13-21)31-28(35)20-29(36)34-26(23-9-4-3-5-10-23)19-27(32-34)33(17-7-16-30)25-11-6-8-22(2)18-25/h3-6,8-15,18,26H,7,17,19-20H2,1-2H3,(H,31,35)