(2S)-N-[(1-azanylisoquinolin-6-yl)methyl]-3-naphthalen-1-yl-2-(2-phenoxyethanoylamino)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(1-azanylisoquinolin-6-yl)methyl]-3-naphthalen-1-yl-2-(2-phenoxyethanoylamino)pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(1-amino-6-isoquinolyl)methyl]-3-(1-naphthyl)-2-[(2-phenoxyacetyl)amino]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(1-amino-6-isoquinolinyl)methyl]-3-(1-naphthalenyl)-2-[(1-oxo-2-phenoxyethyl)amino]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(1-aminoisoquinolin-6-yl)methyl]-3-naphthalen-1-yl-2-[(2-phenoxyacetyl)amino]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(1-amino-6-isoquinolyl)methyl]-3-(1-naphthyl)-2-[(2-phenoxyacetyl)amino]pyrrolidine-2-carboxamide Formula: C33H31N5O3 MolecularWeight: 545.63094

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C1C2=CC=CC3=CC=CC=C32)(C(=O)NCC4=CC5=C(C=C4)C(=NC=C5)N)NC(=O)COC6=CC=CC=C6

Isomeric SMILES

C1CN[C@](C1C2=CC=CC3=CC=CC=C32)(C(=O)NCC4=CC5=C(C=C4)C(=NC=C5)N)NC(=O)COC6=CC=CC=C6

InChI

InChI=1S/C33H31N5O3/c34-31-27-14-13-22(19-24(27)15-17-35-31)20-36-32(40)33(38-30(39)21-41-25-9-2-1-3-10-25)29(16-18-37-33)28-12-6-8-23-7-4-5-11-26(23)28/h1-15,17,19,29,37H,16,18,20-21H2,(H2,34,35)(H,36,40)(H,38,39)/t29?,33-/m0/s1