N-[(4-aminocarbonylphenyl)methyl]-5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[(4-aminocarbonylphenyl)methyl]-5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(4-carbamoylphenyl)methyl]-5-chloro-3-methyl-pyrazole-4-carboxamide CAS Name: N-[(4-carbamoylphenyl)methyl]-5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(4-carbamoylphenyl)methyl]-5-chloro-3-methylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(4-carbamoylbenzyl)-5-chloro-3-methyl-pyrazole-4-carboxamide Formula: C20H19ClN4O2 MolecularWeight: 382.84346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCC2=CC=C(C=C2)C(=O)N)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCC2=CC=C(C=C2)C(=O)N)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C20H19ClN4O2/c1-13-17(18(21)25(24-13)12-15-5-3-2-4-6-15)20(27)23-11-14-7-9-16(10-8-14)19(22)26/h2-10H,11-12H2,1H3,(H2,22,26)(H,23,27)