(2S,4R)-4-(isoquinolin-6-ylamino)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S,4R)-4-(isoquinolin-6-ylamino)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-4-(6-isoquinolylamino)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide CAS Name: (2S,4R)-4-(6-isoquinolinylamino)-N-(2-methoxyethyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-4-(isoquinolin-6-ylamino)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide Traditional Name: (2S,4R)-4-(6-isoquinolylamino)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide Formula: C17H22N4O2 MolecularWeight: 314.38218

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1CC(CN1)NC2=CC3=C(C=C2)C=NC=C3

Isomeric SMILES

COCCNC(=O)[C@@H]1C[C@H](CN1)NC2=CC3=C(C=C2)C=NC=C3

InChI

InChI=1S/C17H22N4O2/c1-23-7-6-19-17(22)16-9-15(11-20-16)21-14-3-2-13-10-18-5-4-12(13)8-14/h2-5,8,10,15-16,20-21H,6-7,9,11H2,1H3,(H,19,22)/t15-,16+/m1/s1