N-[(3R)-1-(2,2-dimethylpropyl)-5-oxidanylidene-pyrrolidin-3-yl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[(3R)-1-(2,2-dimethylpropyl)-5-oxidanylidene-pyrrolidin-3-yl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(3R)-1-(2,2-dimethylpropyl)-5-oxo-pyrrolidin-3-yl]pyrazole-4-carboxamide CAS Name: N-[(3R)-1-(2,2-dimethylpropyl)-5-oxo-3-pyrrolidinyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[(3R)-5-keto-1-neopentyl-pyrrolidin-3-yl]pyrazole-4-carboxamide Formula: C20H26N4O2 MolecularWeight: 354.44604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CC(CC1=O)NC(=O)C2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)CN1C[C@@H](CC1=O)NC(=O)C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O2/c1-20(2,3)14-23-13-17(9-18(23)25)22-19(26)16-10-21-24(12-16)11-15-7-5-4-6-8-15/h4-8,10,12,17H,9,11,13-14H2,1-3H3,(H,22,26)/t17-/m1/s1