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

Systemtic Name: N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[2-(tert-butylamino)-2-oxo-ethyl]-5-chloro-3-methyl-pyrazole-4-carboxamide CAS Name: N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-3-methylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[2-(tert-butylamino)-2-keto-ethyl]-5-chloro-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)NCC(=O)NC(C)(C)C)Cl)CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN4O2/c1-12-15(17(25)20-10-14(24)21-18(2,3)4)16(19)23(22-12)11-13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3,(H,20,25)(H,21,24)