4-chloranyl-N-[2-[[2-(2-cyanoethyl)-5-phenyl-pyrazol-3-yl]amino]phenyl]benzamide

Systemtic Name: 4-chloranyl-N-[2-[[2-(2-cyanoethyl)-5-phenyl-pyrazol-3-yl]amino]phenyl]benzamide Openeye Name: 4-chloro-N-[2-[[2-(2-cyanoethyl)-5-phenyl-pyrazol-3-yl]amino]phenyl]benzamide CAS Name: 4-chloro-N-[2-[[2-(2-cyanoethyl)-5-phenyl-3-pyrazolyl]amino]phenyl]benzamide IUPAC Name: 4-chloro-N-[2-[[2-(2-cyanoethyl)-5-phenylpyrazol-3-yl]amino]phenyl]benzamide Traditional Name: 4-chloro-N-[2-[[2-(2-cyanoethyl)-5-phenyl-pyrazol-3-yl]amino]phenyl]benzamide Formula: C25H20ClN5O MolecularWeight: 441.9122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)NC3=CC=CC=C3NC(=O)C4=CC=C(C=C4)Cl)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)NC3=CC=CC=C3NC(=O)C4=CC=C(C=C4)Cl)CCC#N

InChI

InChI=1S/C25H20ClN5O/c26-20-13-11-19(12-14-20)25(32)29-22-10-5-4-9-21(22)28-24-17-23(18-7-2-1-3-8-18)30-31(24)16-6-15-27/h1-5,7-14,17,28H,6,16H2,(H,29,32)