3-[(2S)-2-(1,3-benzodioxol-5-ylmethyl)-5-oxidanylidene-pyrrolidin-2-yl]-N-[(1R)-3-imidazol-1-yl-1-phenyl-propyl]propanamide

Systemtic Name: 3-[(2S)-2-(1,3-benzodioxol-5-ylmethyl)-5-oxidanylidene-pyrrolidin-2-yl]-N-[(1R)-3-imidazol-1-yl-1-phenyl-propyl]propanamide Openeye Name: 3-[(2S)-2-(1,3-benzodioxol-5-ylmethyl)-5-oxo-pyrrolidin-2-yl]-N-[(1R)-3-imidazol-1-yl-1-phenyl-propyl]propanamide CAS Name: 3-[(2S)-2-(1,3-benzodioxol-5-ylmethyl)-5-oxo-2-pyrrolidinyl]-N-[(1R)-3-(1-imidazolyl)-1-phenylpropyl]propanamide IUPAC Name: 3-[(2S)-2-(1,3-benzodioxol-5-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]propanamide Traditional Name: N-[(1R)-3-imidazol-1-yl-1-phenyl-propyl]-3-[(2S)-5-keto-2-piperonyl-pyrrolidin-2-yl]propionamide Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1=O)(CCC(=O)NC(CCN2C=CN=C2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@](NC1=O)(CCC(=O)N[C@H](CCN2C=CN=C2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H30N4O4/c32-25(29-22(21-4-2-1-3-5-21)10-14-31-15-13-28-18-31)8-11-27(12-9-26(33)30-27)17-20-6-7-23-24(16-20)35-19-34-23/h1-7,13,15-16,18,22H,8-12,14,17,19H2,(H,29,32)(H,30,33)/t22-,27-/m1/s1