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

Systemtic Name: N-ethyl-9-[3-[1-[1-oxidanylidene-2-(1-phenylethyl)-3,4-dihydroisoquinolin-3-yl]piperazin-2-yl]propyl]xanthene-9-carboxamide Openeye Name: N-ethyl-9-[3-[1-[1-oxo-2-(1-phenylethyl)-3,4-dihydroisoquinolin-3-yl]piperazin-2-yl]propyl]xanthene-9-carboxamide CAS Name: N-ethyl-9-[3-[1-[1-oxo-2-(1-phenylethyl)-3,4-dihydroisoquinolin-3-yl]-2-piperazinyl]propyl]-9-xanthenecarboxamide IUPAC Name: N-ethyl-9-[3-[1-[1-oxo-2-(1-phenylethyl)-3,4-dihydroisoquinolin-3-yl]piperazin-2-yl]propyl]xanthene-9-carboxamide Traditional Name: N-ethyl-9-[3-[1-[1-keto-2-(1-phenylethyl)-3,4-dihydroisoquinolin-3-yl]piperazin-2-yl]propyl]xanthene-9-carboxamide Formula: C40H44N4O3 MolecularWeight: 628.80236

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1(C2=CC=CC=C2OC3=CC=CC=C31)CCCC4CNCCN4C5CC6=CC=CC=C6C(=O)N5C(C)C7=CC=CC=C7

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2OC3=CC=CC=C31)CCCC4CNCCN4C5CC6=CC=CC=C6C(=O)N5C(C)C7=CC=CC=C7

InChI

InChI=1S/C40H44N4O3/c1-3-42-39(46)40(33-19-9-11-21-35(33)47-36-22-12-10-20-34(36)40)23-13-17-31-27-41-24-25-43(31)37-26-30-16-7-8-18-32(30)38(45)44(37)28(2)29-14-5-4-6-15-29/h4-12,14-16,18-22,28,31,37,41H,3,13,17,23-27H2,1-2H3,(H,42,46)