4-[[[4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)phenyl]carbonyl-methyl-amino]methyl]benzamide

Systemtic Name: 4-[[[4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)phenyl]carbonyl-methyl-amino]methyl]benzamide Openeye Name: 4-[[[4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoyl]-methyl-amino]methyl]benzamide CAS Name: 4-[[[[4-(4-chloro-3,5-dimethyl-1-pyrazolyl)phenyl]-oxomethyl]-methylamino]methyl]benzamide IUPAC Name: 4-[[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]-methylamino]methyl]benzamide Traditional Name: 4-[[[4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoyl]-methyl-amino]methyl]benzamide Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)N(C)CC3=CC=C(C=C3)C(=O)N)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)N(C)CC3=CC=C(C=C3)C(=O)N)C)Cl

InChI

InChI=1S/C21H21ClN4O2/c1-13-19(22)14(2)26(24-13)18-10-8-17(9-11-18)21(28)25(3)12-15-4-6-16(7-5-15)20(23)27/h4-11H,12H2,1-3H3,(H2,23,27)