3,5-dimethyl-N-[(2S)-5-methylhexan-2-yl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 3,5-dimethyl-N-[(2S)-5-methylhexan-2-yl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(1S)-1,4-dimethylpentyl]-3,5-dimethyl-pyrazole-4-carboxamide CAS Name: 3,5-dimethyl-N-[(2S)-5-methylhexan-2-yl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3,5-dimethyl-N-[(2S)-5-methylhexan-2-yl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[(1S)-1,4-dimethylpentyl]-3,5-dimethyl-pyrazole-4-carboxamide Formula: C20H29N3O MolecularWeight: 327.46376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NC(C)CCC(C)C

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)N[C@@H](C)CCC(C)C

InChI

InChI=1S/C20H29N3O/c1-14(2)11-12-15(3)21-20(24)19-16(4)22-23(17(19)5)13-18-9-7-6-8-10-18/h6-10,14-15H,11-13H2,1-5H3,(H,21,24)/t15-/m0/s1