N-[2-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl]isoquinoline-3-carboxamide

Systemtic Name: N-[2-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl]isoquinoline-3-carboxamide Openeye Name: N-[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-oxo-tetralin-5-yl]isoquinoline-3-carboxamide CAS Name: N-[2-[2-(1-imidazolyl)-1-phenylethoxy]-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]-3-isoquinolinecarboxamide IUPAC Name: N-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]isoquinoline-3-carboxamide Traditional Name: N-[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-keto-tetralin-5-yl]isoquinoline-3-carboxamide Formula: C31H26N4O3 MolecularWeight: 502.56314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2NC(=O)C3=CC4=CC=CC=C4C=N3)OC(CN5C=CN=C5)C6=CC=CC=C6)C(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2NC(=O)C3=CC4=CC=CC=C4C=N3)OC(CN5C=CN=C5)C6=CC=CC=C6)C(=O)C1

InChI

InChI=1S/C31H26N4O3/c36-27-12-6-11-25-24(27)13-14-28(38-29(19-35-16-15-32-20-35)21-7-2-1-3-8-21)30(25)34-31(37)26-17-22-9-4-5-10-23(22)18-33-26/h1-5,7-10,13-18,20,29H,6,11-12,19H2,(H,34,37)