4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-phenyl-quinoline-2-carboxamide

Systemtic Name: 4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-phenyl-quinoline-2-carboxamide Openeye Name: 4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-phenyl-quinoline-2-carboxamide CAS Name: 4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-phenyl-2-quinolinecarboxamide IUPAC Name: 4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-phenylquinoline-2-carboxamide Traditional Name: 4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-phenyl-quinaldamide Formula: C31H33N3O3 MolecularWeight: 495.61202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CCCCC3=C(C(=NC4=CC=CC=C43)C(=O)N)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CCCCC3=C(C(=NC4=CC=CC=C43)C(=O)N)C5=CC=CC=C5)OC

InChI

InChI=1S/C31H33N3O3/c1-36-27-18-22-15-17-34(20-23(22)19-28(27)37-2)16-9-8-13-25-24-12-6-7-14-26(24)33-30(31(32)35)29(25)21-10-4-3-5-11-21/h3-7,10-12,14,18-19H,8-9,13,15-17,20H2,1-2H3,(H2,32,35)