N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-5-chloro-3-methyl-pyrazole-4-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-chloro-3-methylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-5-chloro-3-methyl-pyrazole-4-carboxamide Formula: C21H20BrClN4O2 MolecularWeight: 475.7661

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H20BrClN4O2/c1-13-10-16(22)8-9-17(13)25-18(28)11-24-21(29)19-14(2)26-27(20(19)23)12-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,24,29)(H,25,28)