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

Systemtic Name: N-ethyl-9-[3-[2-[(3-methylphenyl)methyl]-1-oxidanylidene-3-piperazin-1-yl-4H-isoquinolin-3-yl]propyl]fluorene-9-carboxamide Openeye Name: N-ethyl-9-[3-[2-(m-tolylmethyl)-1-oxo-3-piperazin-1-yl-4H-isoquinolin-3-yl]propyl]fluorene-9-carboxamide CAS Name: N-ethyl-9-[3-[2-[(3-methylphenyl)methyl]-1-oxo-3-(1-piperazinyl)-4H-isoquinolin-3-yl]propyl]-9-fluorenecarboxamide IUPAC Name: N-ethyl-9-[3-[2-[(3-methylphenyl)methyl]-1-oxo-3-piperazin-1-yl-4H-isoquinolin-3-yl]propyl]fluorene-9-carboxamide Traditional Name: N-ethyl-9-[3-[1-keto-2-(3-methylbenzyl)-3-piperazino-4H-isoquinolin-3-yl]propyl]fluorene-9-carboxamide Formula: C40H44N4O2 MolecularWeight: 612.80296

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1(C2=CC=CC=C2C3=CC=CC=C31)CCCC4(CC5=CC=CC=C5C(=O)N4CC6=CC=CC(=C6)C)N7CCNCC7

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2C3=CC=CC=C31)CCCC4(CC5=CC=CC=C5C(=O)N4CC6=CC=CC(=C6)C)N7CCNCC7

InChI

InChI=1S/C40H44N4O2/c1-3-42-38(46)40(35-18-8-6-16-33(35)34-17-7-9-19-36(34)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)