(2S)-2-(2-phenoxyethanoylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: (2S)-2-(2-phenoxyethanoylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: (2S)-2-[(2-phenoxyacetyl)amino]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide CAS Name: (2S)-2-[(1-oxo-2-phenoxyethyl)amino]-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]propanamide IUPAC Name: (2S)-2-[(2-phenoxyacetyl)amino]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: (2S)-2-[(2-phenoxyacetyl)amino]-N-[2-(pyrazol-1-ylmethyl)benzyl]propionamide Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1CN2C=CC=N2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1CN2C=CC=N2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H24N4O3/c1-17(25-21(27)16-29-20-10-3-2-4-11-20)22(28)23-14-18-8-5-6-9-19(18)15-26-13-7-12-24-26/h2-13,17H,14-16H2,1H3,(H,23,28)(H,25,27)/t17-/m0/s1