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

Systemtic Name: 3-[5-[2-cyanoethyl(phenyl)amino]-3-phenyl-3,4-dihydropyrazol-2-yl]-N-(4-methoxyphenyl)-3-oxidanylidene-propanamide Openeye Name: 3-[5-[N-(2-cyanoethyl)anilino]-3-phenyl-3,4-dihydropyrazol-2-yl]-N-(4-methoxyphenyl)-3-oxo-propanamide CAS Name: 3-[5-[N-(2-cyanoethyl)anilino]-3-phenyl-3,4-dihydropyrazol-2-yl]-N-(4-methoxyphenyl)-3-oxopropanamide IUPAC Name: 3-[5-[N-(2-cyanoethyl)anilino]-3-phenyl-3,4-dihydropyrazol-2-yl]-N-(4-methoxyphenyl)-3-oxopropanamide Traditional Name: 3-[3-[N-(2-cyanoethyl)anilino]-5-phenyl-2-pyrazolin-1-yl]-3-keto-N-(4-methoxyphenyl)propionamide Formula: C28H27N5O3 MolecularWeight: 481.54568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CC(=O)N2C(CC(=N2)N(CCC#N)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CC(=O)N2C(CC(=N2)N(CCC#N)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H27N5O3/c1-36-24-15-13-22(14-16-24)30-27(34)20-28(35)33-25(21-9-4-2-5-10-21)19-26(31-33)32(18-8-17-29)23-11-6-3-7-12-23/h2-7,9-16,25H,8,18-20H2,1H3,(H,30,34)