5-chloranyl-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-5-chloro-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-5-chloro-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-5-chloro-N-[2-(isobutyrylamino)ethyl]-3-methyl-pyrazole-4-carboxamide Formula: C18H23ClN4O2 MolecularWeight: 362.85382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCCNC(=O)C(C)C)Cl)CC2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCCNC(=O)C(C)C)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C18H23ClN4O2/c1-12(2)17(24)20-9-10-21-18(25)15-13(3)22-23(16(15)19)11-14-7-5-4-6-8-14/h4-8,12H,9-11H2,1-3H3,(H,20,24)(H,21,25)