3-[8-(aminomethyloxy)isoquinolin-1-yl]carbonylhexanediamide

Systemtic Name: 3-[8-(aminomethyloxy)isoquinolin-1-yl]carbonylhexanediamide Openeye Name: 3-[8-(aminomethoxy)isoquinoline-1-carbonyl]hexanediamide CAS Name: 3-[[8-(aminomethoxy)-1-isoquinolinyl]-oxomethyl]hexanediamide IUPAC Name: 3-[8-(aminomethoxy)isoquinoline-1-carbonyl]hexanediamide Traditional Name: 3-[8-(aminomethoxy)isoquinoline-1-carbonyl]adipamide Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)OCN)C(=NC=C2)C(=O)C(CCC(=O)N)CC(=O)N

Isomeric SMILES

C1=CC2=C(C(=C1)OCN)C(=NC=C2)C(=O)C(CCC(=O)N)CC(=O)N

InChI

InChI=1S/C17H20N4O4/c18-9-25-12-3-1-2-10-6-7-21-16(15(10)12)17(24)11(8-14(20)23)4-5-13(19)22/h1-3,6-7,11H,4-5,8-9,18H2,(H2,19,22)(H2,20,23)