azocan-1-yl-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinolin-4-yl]methanone

Systemtic Name: azocan-1-yl-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinolin-4-yl]methanone Openeye Name: azocan-1-yl-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-quinolyl]methanone CAS Name: 1-azocanyl-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-quinolinyl]methanone IUPAC Name: azocan-1-yl-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinolin-4-yl]methanone Traditional Name: azocan-1-yl-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-quinolyl]methanone Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3=NC4=CC=CC=C4C(=C3)C(=O)N5CCCCCCC5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3=NC4=CC=CC=C4C(=C3)C(=O)N5CCCCCCC5)OC

InChI

InChI=1S/C28H33N3O3/c1-33-25-16-20-12-15-31(19-21(20)17-26(25)34-2)27-18-23(22-10-6-7-11-24(22)29-27)28(32)30-13-8-4-3-5-9-14-30/h6-7,10-11,16-18H,3-5,8-9,12-15,19H2,1-2H3