N-ethyl-9-[3-[2-[(3-methylphenyl)methyl]-1-oxidanylidene-3-piperazin-1-yl-4H-isoquinolin-3-yl]propyl]xanthene-9-carboxamide

Systemtic Name: N-ethyl-9-[3-[2-[(3-methylphenyl)methyl]-1-oxidanylidene-3-piperazin-1-yl-4H-isoquinolin-3-yl]propyl]xanthene-9-carboxamide Openeye Name: N-ethyl-9-[3-[2-(m-tolylmethyl)-1-oxo-3-piperazin-1-yl-4H-isoquinolin-3-yl]propyl]xanthene-9-carboxamide CAS Name: N-ethyl-9-[3-[2-[(3-methylphenyl)methyl]-1-oxo-3-(1-piperazinyl)-4H-isoquinolin-3-yl]propyl]-9-xanthenecarboxamide IUPAC Name: N-ethyl-9-[3-[2-[(3-methylphenyl)methyl]-1-oxo-3-piperazin-1-yl-4H-isoquinolin-3-yl]propyl]xanthene-9-carboxamide Traditional Name: N-ethyl-9-[3-[1-keto-2-(3-methylbenzyl)-3-piperazino-4H-isoquinolin-3-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)CCCC4(CC5=CC=CC=C5C(=O)N4CC6=CC=CC(=C6)C)N7CCNCC7

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2OC3=CC=CC=C31)CCCC4(CC5=CC=CC=C5C(=O)N4CC6=CC=CC(=C6)C)N7CCNCC7

InChI

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