5-chloranyl-3-methyl-1-phenyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-3-methyl-1-phenyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazole-4-carboxamide Openeye Name: 5-chloro-3-methyl-1-phenyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-1-phenyl-N-[[4-(1-pyrrolidinyl)phenyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 5-chloro-3-methyl-1-phenyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazole-4-carboxamide Traditional Name: 5-chloro-3-methyl-1-phenyl-N-(4-pyrrolidinobenzyl)pyrazole-4-carboxamide Formula: C22H23ClN4O MolecularWeight: 394.89722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCC2=CC=C(C=C2)N3CCCC3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCC2=CC=C(C=C2)N3CCCC3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H23ClN4O/c1-16-20(21(23)27(25-16)19-7-3-2-4-8-19)22(28)24-15-17-9-11-18(12-10-17)26-13-5-6-14-26/h2-4,7-12H,5-6,13-15H2,1H3,(H,24,28)