2-(cyclohexa-1,3-dien-1-ylcarbonylamino)-5-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide

Systemtic Name: 2-(cyclohexa-1,3-dien-1-ylcarbonylamino)-5-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide Openeye Name: 2-(cyclohexa-1,3-diene-1-carbonylamino)-5-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide CAS Name: 2-[[1-cyclohexa-1,3-dienyl(oxo)methyl]amino]-5-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide IUPAC Name: 2-(cyclohexa-1,3-diene-1-carbonylamino)-5-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide Traditional Name: 2-(cyclohexa-1,3-diene-1-carbonylamino)-5-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CCC3=CC(=C(C=C3)NC(=O)C4=CC=CCC4)C(=O)N)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CCC3=CC(=C(C=C3)NC(=O)C4=CC=CCC4)C(=O)N)OC

InChI

InChI=1S/C27H31N3O4/c1-33-24-15-20-11-13-30(17-21(20)16-25(24)34-2)12-10-18-8-9-23(22(14-18)26(28)31)29-27(32)19-6-4-3-5-7-19/h3-4,6,8-9,14-16H,5,7,10-13,17H2,1-2H3,(H2,28,31)(H,29,32)