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

Systemtic Name: N-ethyl-9-[4-[1-[1-oxidanylidene-2-(1-phenylethyl)-3,4-dihydroisoquinolin-3-yl]piperazin-2-yl]butyl]xanthene-9-carboxamide Openeye Name: N-ethyl-9-[4-[1-[1-oxo-2-(1-phenylethyl)-3,4-dihydroisoquinolin-3-yl]piperazin-2-yl]butyl]xanthene-9-carboxamide CAS Name: N-ethyl-9-[4-[1-[1-oxo-2-(1-phenylethyl)-3,4-dihydroisoquinolin-3-yl]-2-piperazinyl]butyl]-9-xanthenecarboxamide IUPAC Name: N-ethyl-9-[4-[1-[1-oxo-2-(1-phenylethyl)-3,4-dihydroisoquinolin-3-yl]piperazin-2-yl]butyl]xanthene-9-carboxamide Traditional Name: N-ethyl-9-[4-[1-[1-keto-2-(1-phenylethyl)-3,4-dihydroisoquinolin-3-yl]piperazin-2-yl]butyl]xanthene-9-carboxamide Formula: C41H46N4O3 MolecularWeight: 642.82894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1(C2=CC=CC=C2OC3=CC=CC=C31)CCCCC4CNCCN4C5CC6=CC=CC=C6C(=O)N5C(C)C7=CC=CC=C7

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2OC3=CC=CC=C31)CCCCC4CNCCN4C5CC6=CC=CC=C6C(=O)N5C(C)C7=CC=CC=C7

InChI

InChI=1S/C41H46N4O3/c1-3-43-40(47)41(34-20-9-11-22-36(34)48-37-23-12-10-21-35(37)41)24-14-13-18-32-28-42-25-26-44(32)38-27-31-17-7-8-19-33(31)39(46)45(38)29(2)30-15-5-4-6-16-30/h4-12,15-17,19-23,29,32,38,42H,3,13-14,18,24-28H2,1-2H3,(H,43,47)