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

Systemtic Name: N-[2-[[2-(2-cyanoethyl)-5-phenyl-pyrazol-3-yl]amino]phenyl]-3,4-dimethyl-benzamide Openeye Name: N-[2-[[2-(2-cyanoethyl)-5-phenyl-pyrazol-3-yl]amino]phenyl]-3,4-dimethyl-benzamide CAS Name: N-[2-[[2-(2-cyanoethyl)-5-phenyl-3-pyrazolyl]amino]phenyl]-3,4-dimethylbenzamide IUPAC Name: N-[2-[[2-(2-cyanoethyl)-5-phenylpyrazol-3-yl]amino]phenyl]-3,4-dimethylbenzamide Traditional Name: N-[2-[[2-(2-cyanoethyl)-5-phenyl-pyrazol-3-yl]amino]phenyl]-3,4-dimethyl-benzamide Formula: C27H25N5O MolecularWeight: 435.5203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2NC3=CC(=NN3CCC#N)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2NC3=CC(=NN3CCC#N)C4=CC=CC=C4)C

InChI

InChI=1S/C27H25N5O/c1-19-13-14-22(17-20(19)2)27(33)30-24-12-7-6-11-23(24)29-26-18-25(21-9-4-3-5-10-21)31-32(26)16-8-15-28/h3-7,9-14,17-18,29H,8,16H2,1-2H3,(H,30,33)