1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-5-[4-(2-pyridin-4-ylethynyl)phenyl]pyrazole-3-carboxamide

Systemtic Name: 1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-5-[4-(2-pyridin-4-ylethynyl)phenyl]pyrazole-3-carboxamide Openeye Name: 1-(2,4-dichlorophenyl)-4-methyl-N-(1-piperidyl)-5-[4-[2-(4-pyridyl)ethynyl]phenyl]pyrazole-3-carboxamide CAS Name: 1-(2,4-dichlorophenyl)-4-methyl-N-(1-piperidinyl)-5-[4-(2-pyridin-4-ylethynyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-5-[4-(2-pyridin-4-ylethynyl)phenyl]pyrazole-3-carboxamide Traditional Name: 1-(2,4-dichlorophenyl)-4-methyl-N-piperidino-5-[4-[2-(4-pyridyl)ethynyl]phenyl]pyrazole-3-carboxamide Formula: C29H25Cl2N5O MolecularWeight: 530.4477

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)C#CC5=CC=NC=C5

Isomeric SMILES

CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)C#CC5=CC=NC=C5

InChI

InChI=1S/C29H25Cl2N5O/c1-20-27(29(37)34-35-17-3-2-4-18-35)33-36(26-12-11-24(30)19-25(26)31)28(20)23-9-7-21(8-10-23)5-6-22-13-15-32-16-14-22/h7-16,19H,2-4,17-18H2,1H3,(H,34,37)