[2-[3,4-bis(fluoranyl)phenyl]-4-[[2-(3-butylisoquinolin-1-yl)oxyethyl-methyl-amino]methyl]-2-[1-(2-diethylaminoethylamino)propyl]pyrrolidin-3-ylidene]methanone

Systemtic Name: [2-[3,4-bis(fluoranyl)phenyl]-4-[[2-(3-butylisoquinolin-1-yl)oxyethyl-methyl-amino]methyl]-2-[1-(2-diethylaminoethylamino)propyl]pyrrolidin-3-ylidene]methanone Openeye Name: [4-[[2-[(3-butyl-1-isoquinolyl)oxy]ethyl-methyl-amino]methyl]-2-[1-(2-diethylaminoethylamino)propyl]-2-(3,4-difluorophenyl)pyrrolidin-3-ylidene]methanone CAS Name: [4-[[2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-methylamino]methyl]-2-[1-(2-diethylaminoethylamino)propyl]-2-(3,4-difluorophenyl)-3-pyrrolidinylidene]methanone IUPAC Name: [4-[[2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]methyl]-2-[1-(2-diethylaminoethylamino)propyl]-2-(3,4-difluorophenyl)pyrrolidin-3-ylidene]methanone Traditional Name: [4-[[2-[(3-butyl-1-isoquinolyl)oxy]ethyl-methyl-amino]methyl]-2-[1-(2-diethylaminoethylamino)propyl]-2-(3,4-difluorophenyl)pyrrolidin-3-ylidene]methanone Formula: C37H51F2N5O2 MolecularWeight: 635.829946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)CC3CNC(C3=C=O)(C4=CC(=C(C=C4)F)F)C(CC)NCCN(CC)CC

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)CC3CNC(C3=C=O)(C4=CC(=C(C=C4)F)F)C(CC)NCCN(CC)CC

InChI

InChI=1S/C37H51F2N5O2/c1-6-10-14-30-22-27-13-11-12-15-31(27)36(42-30)46-21-20-43(5)25-28-24-41-37(32(28)26-45,29-16-17-33(38)34(39)23-29)35(7-2)40-18-19-44(8-3)9-4/h11-13,15-17,22-23,28,35,40-41H,6-10,14,18-21,24-25H2,1-5H3