N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]pyrazole-4-carboxamide CAS Name: N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]pyrazole-4-carboxamide Formula: C17H22N4O2 MolecularWeight: 314.38218

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)C1=CN(N=C1)CC2=CC=CC=C2

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)C1=CN(N=C1)CC2=CC=CC=C2

InChI

InChI=1S/C17H22N4O2/c1-3-9-18-16(22)13(2)20-17(23)15-10-19-21(12-15)11-14-7-5-4-6-8-14/h4-8,10,12-13H,3,9,11H2,1-2H3,(H,18,22)(H,20,23)/t13-/m0/s1