6-ethoxy-4-oxidanylidene-2-(phenylmethyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)quinoline-3-carboxamide

Systemtic Name: 6-ethoxy-4-oxidanylidene-2-(phenylmethyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)quinoline-3-carboxamide Openeye Name: 2-benzyl-6-ethoxy-4-oxo-1-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)quinoline-3-carboxamide CAS Name: 6-ethoxy-4-oxo-2-(phenylmethyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-3-quinolinecarboxamide IUPAC Name: 2-benzyl-6-ethoxy-4-oxo-1-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)quinoline-3-carboxamide Traditional Name: 2-benzyl-6-ethoxy-4-keto-1-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)quinoline-3-carboxamide Formula: C29H29N3O3 MolecularWeight: 467.55886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=C(C2=O)C(=O)N)CC3=CC=CC=C3)CC4C5=CC=CC=C5CCN4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=C(C2=O)C(=O)N)CC3=CC=CC=C3)CC4C5=CC=CC=C5CCN4

InChI

InChI=1S/C29H29N3O3/c1-2-35-21-12-13-25-23(17-21)28(33)27(29(30)34)26(16-19-8-4-3-5-9-19)32(25)18-24-22-11-7-6-10-20(22)14-15-31-24/h3-13,17,24,31H,2,14-16,18H2,1H3,(H2,30,34)