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

Systemtic Name: (2S,4S)-4-(isoquinolin-6-ylamino)-N-(3-methoxypropyl)pyrrolidine-2-carboxamide Openeye Name: (2S,4S)-4-(6-isoquinolylamino)-N-(3-methoxypropyl)pyrrolidine-2-carboxamide CAS Name: (2S,4S)-4-(6-isoquinolinylamino)-N-(3-methoxypropyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S,4S)-4-(isoquinolin-6-ylamino)-N-(3-methoxypropyl)pyrrolidine-2-carboxamide Traditional Name: (2S,4S)-4-(6-isoquinolylamino)-N-(3-methoxypropyl)pyrrolidine-2-carboxamide Formula: C18H24N4O2 MolecularWeight: 328.40876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O2/c1-24-8-2-6-20-18(23)17-10-16(12-21-17)22-15-4-3-14-11-19-7-5-13(14)9-15/h3-5,7,9,11,16-17,21-22H,2,6,8,10,12H2,1H3,(H,20,23)/t16-,17-/m0/s1