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

Systemtic Name: 3-[5-[(2-chlorophenyl)-(2-cyanoethyl)amino]-3-phenyl-3,4-dihydropyrazol-2-yl]-3-oxidanylidene-N-phenyl-propanamide Openeye Name: 3-[5-[2-chloro-N-(2-cyanoethyl)anilino]-3-phenyl-3,4-dihydropyrazol-2-yl]-3-oxo-N-phenyl-propanamide CAS Name: 3-[5-[2-chloro-N-(2-cyanoethyl)anilino]-3-phenyl-3,4-dihydropyrazol-2-yl]-3-oxo-N-phenylpropanamide IUPAC Name: 3-[5-[2-chloro-N-(2-cyanoethyl)anilino]-3-phenyl-3,4-dihydropyrazol-2-yl]-3-oxo-N-phenylpropanamide Traditional Name: 3-[3-[2-chloro-N-(2-cyanoethyl)anilino]-5-phenyl-2-pyrazolin-1-yl]-3-keto-N-phenyl-propionamide Formula: C27H24ClN5O2 MolecularWeight: 485.96476

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1N(CCC#N)C2=CC=CC=C2Cl)C(=O)CC(=O)NC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C(N(N=C1N(CCC#N)C2=CC=CC=C2Cl)C(=O)CC(=O)NC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H24ClN5O2/c28-22-14-7-8-15-23(22)32(17-9-16-29)25-18-24(20-10-3-1-4-11-20)33(31-25)27(35)19-26(34)30-21-12-5-2-6-13-21/h1-8,10-15,24H,9,17-19H2,(H,30,34)