3-[(2S)-2-(1,3-benzodioxol-5-ylmethyl)-5-oxidanylidene-pyrrolidin-2-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide

Systemtic Name: 3-[(2S)-2-(1,3-benzodioxol-5-ylmethyl)-5-oxidanylidene-pyrrolidin-2-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide Openeye Name: 3-[(2S)-2-(1,3-benzodioxol-5-ylmethyl)-5-oxo-pyrrolidin-2-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide CAS Name: 3-[(2S)-2-(1,3-benzodioxol-5-ylmethyl)-5-oxo-2-pyrrolidinyl]-N-methyl-N-[[4-(1-pyrazolyl)phenyl]methyl]propanamide IUPAC Name: 3-[(2S)-2-(1,3-benzodioxol-5-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide Traditional Name: 3-[(2S)-5-keto-2-piperonyl-pyrrolidin-2-yl]-N-methyl-N-(4-pyrazol-1-ylbenzyl)propionamide Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)N2C=CC=N2)C(=O)CCC3(CCC(=O)N3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN(CC1=CC=C(C=C1)N2C=CC=N2)C(=O)CC[C@@]3(CCC(=O)N3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H28N4O4/c1-29(17-19-3-6-21(7-4-19)30-14-2-13-27-30)25(32)10-12-26(11-9-24(31)28-26)16-20-5-8-22-23(15-20)34-18-33-22/h2-8,13-15H,9-12,16-18H2,1H3,(H,28,31)/t26-/m0/s1