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

Systemtic Name: 3-[5-[[2-chloranyl-3-(2-cyanoethyl)phenyl]amino]-3-phenyl-3,4-dihydropyrazol-2-yl]-3-oxidanylidene-N-phenyl-propanamide Openeye Name: 3-[5-[2-chloro-3-(2-cyanoethyl)anilino]-3-phenyl-3,4-dihydropyrazol-2-yl]-3-oxo-N-phenyl-propanamide CAS Name: 3-[5-[2-chloro-3-(2-cyanoethyl)anilino]-3-phenyl-3,4-dihydropyrazol-2-yl]-3-oxo-N-phenylpropanamide IUPAC Name: 3-[5-[2-chloro-3-(2-cyanoethyl)anilino]-3-phenyl-3,4-dihydropyrazol-2-yl]-3-oxo-N-phenylpropanamide Traditional Name: 3-[3-[2-chloro-3-(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=C1NC2=CC=CC(=C2Cl)CCC#N)C(=O)CC(=O)NC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C(N(N=C1NC2=CC=CC(=C2Cl)CCC#N)C(=O)CC(=O)NC3=CC=CC=C3)C4=CC=CC=C4

InChI

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