(3S,4R)-4-(isoquinolin-6-ylamino)-N-(2-methylpropyl)pyrrolidine-3-carboxamide

Systemtic Name: (3S,4R)-4-(isoquinolin-6-ylamino)-N-(2-methylpropyl)pyrrolidine-3-carboxamide Openeye Name: (3S,4R)-N-isobutyl-4-(6-isoquinolylamino)pyrrolidine-3-carboxamide CAS Name: (3S,4R)-4-(6-isoquinolinylamino)-N-(2-methylpropyl)-3-pyrrolidinecarboxamide IUPAC Name: (3S,4R)-4-(isoquinolin-6-ylamino)-N-(2-methylpropyl)pyrrolidine-3-carboxamide Traditional Name: (3S,4R)-N-isobutyl-4-(6-isoquinolylamino)pyrrolidine-3-carboxamide Formula: C18H24N4O MolecularWeight: 312.40936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1CNCC1NC2=CC3=C(C=C2)C=NC=C3

Isomeric SMILES

CC(C)CNC(=O)[C@H]1CNC[C@@H]1NC2=CC3=C(C=C2)C=NC=C3

InChI

InChI=1S/C18H24N4O/c1-12(2)8-21-18(23)16-10-20-11-17(16)22-15-4-3-14-9-19-6-5-13(14)7-15/h3-7,9,12,16-17,20,22H,8,10-11H2,1-2H3,(H,21,23)/t16-,17-/m0/s1