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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2NC(=O)C3=NC=CC4=CC=CC=C43)OC(CN5C=CN=C5)C6=CC=CC=C6)C(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2NC(=O)C3=NC=CC4=CC=CC=C43)OC(CN5C=CN=C5)C6=CC=CC=C6)C(=O)C1

InChI

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