N-[[4-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl]methyl]-5-chloranyl-1,3-dimethyl-pyrazole-4-carboxamide

Systemtic Name: N-[[4-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl]methyl]-5-chloranyl-1,3-dimethyl-pyrazole-4-carboxamide Openeye Name: N-[[4-[(2-amino-2-oxo-ethyl)carbamoyl]phenyl]methyl]-5-chloro-1,3-dimethyl-pyrazole-4-carboxamide CAS Name: N-[[4-[[(2-amino-2-oxoethyl)amino]-oxomethyl]phenyl]methyl]-5-chloro-1,3-dimethyl-4-pyrazolecarboxamide IUPAC Name: N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-chloro-1,3-dimethylpyrazole-4-carboxamide Traditional Name: N-[4-[(2-amino-2-keto-ethyl)carbamoyl]benzyl]-5-chloro-1,3-dimethyl-pyrazole-4-carboxamide Formula: C16H18ClN5O3 MolecularWeight: 363.79882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN5O3/c1-9-13(14(17)22(2)21-9)16(25)19-7-10-3-5-11(6-4-10)15(24)20-8-12(18)23/h3-6H,7-8H2,1-2H3,(H2,18,23)(H,19,25)(H,20,24)