(2S,4S)-4-(isoquinolin-6-ylamino)-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S,4S)-4-(isoquinolin-6-ylamino)-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide Openeye Name: (2S,4S)-4-(6-isoquinolylamino)-N-(2-pyridylmethyl)pyrrolidine-2-carboxamide CAS Name: (2S,4S)-4-(6-isoquinolinylamino)-N-(2-pyridinylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S,4S)-4-(isoquinolin-6-ylamino)-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide Traditional Name: (2S,4S)-4-(6-isoquinolylamino)-N-(2-pyridylmethyl)pyrrolidine-2-carboxamide Formula: C20H21N5O MolecularWeight: 347.41364

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1C(=O)NCC2=CC=CC=N2)NC3=CC4=C(C=C3)C=NC=C4

Isomeric SMILES

C1[C@@H](CN[C@@H]1C(=O)NCC2=CC=CC=N2)NC3=CC4=C(C=C3)C=NC=C4

InChI

InChI=1S/C20H21N5O/c26-20(24-12-17-3-1-2-7-22-17)19-10-18(13-23-19)25-16-5-4-15-11-21-8-6-14(15)9-16/h1-9,11,18-19,23,25H,10,12-13H2,(H,24,26)/t18-,19-/m0/s1