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

Systemtic Name: 5-chloranyl-3-methyl-N-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[2-(benzylamino)-2-oxo-ethyl]-5-chloro-3-methyl-pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-N-[2-oxo-2-[(phenylmethyl)amino]ethyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[2-(benzylamino)-2-oxoethyl]-5-chloro-3-methylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[2-(benzylamino)-2-keto-ethyl]-5-chloro-3-methyl-pyrazole-4-carboxamide Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O2/c1-15-19(20(22)26(25-15)14-17-10-6-3-7-11-17)21(28)24-13-18(27)23-12-16-8-4-2-5-9-16/h2-11H,12-14H2,1H3,(H,23,27)(H,24,28)