N-ethyl-9-[4-[4-[2-[(3-methoxyphenyl)methyl]-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]butyl]xanthene-9-carboxamide

Systemtic Name: N-ethyl-9-[4-[4-[2-[(3-methoxyphenyl)methyl]-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]butyl]xanthene-9-carboxamide Openeye Name: N-ethyl-9-[4-[4-[2-[(3-methoxyphenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]butyl]xanthene-9-carboxamide CAS Name: N-ethyl-9-[4-[4-[2-[(3-methoxyphenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-7-yl]-1-piperazinyl]butyl]-9-xanthenecarboxamide IUPAC Name: N-ethyl-9-[4-[4-[2-[(3-methoxyphenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]butyl]xanthene-9-carboxamide Traditional Name: N-ethyl-9-[4-[4-(1-keto-2-m-anisyl-3,4-dihydroisoquinolin-7-yl)piperazino]butyl]xanthene-9-carboxamide Formula: C41H46N4O4 MolecularWeight: 658.82834

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1(C2=CC=CC=C2OC3=CC=CC=C31)CCCCN4CCN(CC4)C5=CC6=C(CCN(C6=O)CC7=CC(=CC=C7)OC)C=C5

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2OC3=CC=CC=C31)CCCCN4CCN(CC4)C5=CC6=C(CCN(C6=O)CC7=CC(=CC=C7)OC)C=C5

InChI

InChI=1S/C41H46N4O4/c1-3-42-40(47)41(35-13-4-6-15-37(35)49-38-16-7-5-14-36(38)41)20-8-9-21-43-23-25-44(26-24-43)32-18-17-31-19-22-45(39(46)34(31)28-32)29-30-11-10-12-33(27-30)48-2/h4-7,10-18,27-28H,3,8-9,19-26,29H2,1-2H3,(H,42,47)