N-[5-azanyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-oxidanylidene-hexyl]-3-cyclopentyl-propanamide

Systemtic Name: N-[5-azanyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-oxidanylidene-hexyl]-3-cyclopentyl-propanamide Openeye Name: N-[5-amino-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-oxo-hexyl]-3-cyclopentyl-propanamide CAS Name: N-[5-amino-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-oxohexyl]-3-cyclopentylpropanamide IUPAC Name: N-[5-amino-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-oxohexyl]-3-cyclopentylpropanamide Traditional Name: N-[5-amino-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-keto-hexyl]-3-cyclopentyl-propionamide Formula: C25H39N3O4 MolecularWeight: 445.59486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C(CCCCNC(=O)CCC3CCCC3)N)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C(CCCCNC(=O)CCC3CCCC3)N)OC

InChI

InChI=1S/C25H39N3O4/c1-31-22-15-19-12-14-28(17-20(19)16-23(22)32-2)25(30)21(26)9-5-6-13-27-24(29)11-10-18-7-3-4-8-18/h15-16,18,21H,3-14,17,26H2,1-2H3,(H,27,29)