(3S)-N-(isoquinolin-1-ylmethyl)-5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-(isoquinolin-1-ylmethyl)-5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxamide Openeye Name: (3S)-1-benzyl-N-(1-isoquinolylmethyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-N-(1-isoquinolinylmethyl)-5-oxo-1-(phenylmethyl)-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-benzyl-N-(isoquinolin-1-ylmethyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-1-benzyl-N-(1-isoquinolylmethyl)-5-keto-pyrrolidine-3-carboxamide Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)NCC3=NC=CC4=CC=CC=C43

Isomeric SMILES

C1[C@@H](CN(C1=O)CC2=CC=CC=C2)C(=O)NCC3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C22H21N3O2/c26-21-12-18(15-25(21)14-16-6-2-1-3-7-16)22(27)24-13-20-19-9-5-4-8-17(19)10-11-23-20/h1-11,18H,12-15H2,(H,24,27)/t18-/m0/s1