9-[3-butyl-2-(oxan-2-ylmethyl)-1-oxidanylidene-3-piperazin-1-yl-4H-isoquinolin-4-yl]-N-ethyl-fluorene-9-carboxamide

Systemtic Name: 9-[3-butyl-2-(oxan-2-ylmethyl)-1-oxidanylidene-3-piperazin-1-yl-4H-isoquinolin-4-yl]-N-ethyl-fluorene-9-carboxamide Openeye Name: 9-[3-butyl-1-oxo-3-piperazin-1-yl-2-(tetrahydropyran-2-ylmethyl)-4H-isoquinolin-4-yl]-N-ethyl-fluorene-9-carboxamide CAS Name: 9-[3-butyl-2-(2-oxanylmethyl)-1-oxo-3-(1-piperazinyl)-4H-isoquinolin-4-yl]-N-ethyl-9-fluorenecarboxamide IUPAC Name: 9-[3-butyl-2-(oxan-2-ylmethyl)-1-oxo-3-piperazin-1-yl-4H-isoquinolin-4-yl]-N-ethylfluorene-9-carboxamide Traditional Name: 9-[3-butyl-1-keto-3-piperazino-2-(tetrahydropyran-2-ylmethyl)-4H-isoquinolin-4-yl]-N-ethyl-fluorene-9-carboxamide Formula: C39H48N4O3 MolecularWeight: 620.82342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(C2=CC=CC=C2C(=O)N1CC3CCCCO3)C4(C5=CC=CC=C5C6=CC=CC=C64)C(=O)NCC)N7CCNCC7

Isomeric SMILES

CCCCC1(C(C2=CC=CC=C2C(=O)N1CC3CCCCO3)C4(C5=CC=CC=C5C6=CC=CC=C64)C(=O)NCC)N7CCNCC7

InChI

InChI=1S/C39H48N4O3/c1-3-5-21-38(42-24-22-40-23-25-42)35(31-17-6-7-18-32(31)36(44)43(38)27-28-14-12-13-26-46-28)39(37(45)41-4-2)33-19-10-8-15-29(33)30-16-9-11-20-34(30)39/h6-11,15-20,28,35,40H,3-5,12-14,21-27H2,1-2H3,(H,41,45)