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

Systemtic Name: N-ethyl-9-[4-[2-[(3-methylphenyl)methyl]-1-oxidanylidene-3-piperazin-1-yl-4H-isoquinolin-3-yl]butyl]xanthene-9-carboxamide Openeye Name: N-ethyl-9-[4-[2-(m-tolylmethyl)-1-oxo-3-piperazin-1-yl-4H-isoquinolin-3-yl]butyl]xanthene-9-carboxamide CAS Name: N-ethyl-9-[4-[2-[(3-methylphenyl)methyl]-1-oxo-3-(1-piperazinyl)-4H-isoquinolin-3-yl]butyl]-9-xanthenecarboxamide IUPAC Name: N-ethyl-9-[4-[2-[(3-methylphenyl)methyl]-1-oxo-3-piperazin-1-yl-4H-isoquinolin-3-yl]butyl]xanthene-9-carboxamide Traditional Name: N-ethyl-9-[4-[1-keto-2-(3-methylbenzyl)-3-piperazino-4H-isoquinolin-3-yl]butyl]xanthene-9-carboxamide Formula: C41H46N4O3 MolecularWeight: 642.82894

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1(C2=CC=CC=C2OC3=CC=CC=C31)CCCCC4(CC5=CC=CC=C5C(=O)N4CC6=CC=CC(=C6)C)N7CCNCC7

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2OC3=CC=CC=C31)CCCCC4(CC5=CC=CC=C5C(=O)N4CC6=CC=CC(=C6)C)N7CCNCC7

InChI

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