2-[2-(3-butylisoquinolin-1-yl)oxyethyl-methyl-amino]-1-[5-(2-fluorophenyl)-5-(hydroxymethyl)pyrrolidin-3-yl]ethanone

Systemtic Name: 2-[2-(3-butylisoquinolin-1-yl)oxyethyl-methyl-amino]-1-[5-(2-fluorophenyl)-5-(hydroxymethyl)pyrrolidin-3-yl]ethanone Openeye Name: 2-[2-[(3-butyl-1-isoquinolyl)oxy]ethyl-methyl-amino]-1-[5-(2-fluorophenyl)-5-(hydroxymethyl)pyrrolidin-3-yl]ethanone CAS Name: 2-[2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-methylamino]-1-[5-(2-fluorophenyl)-5-(hydroxymethyl)-3-pyrrolidinyl]ethanone IUPAC Name: 2-[2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]-1-[5-(2-fluorophenyl)-5-(hydroxymethyl)pyrrolidin-3-yl]ethanone Traditional Name: 2-[2-[(3-butyl-1-isoquinolyl)oxy]ethyl-methyl-amino]-1-[5-(2-fluorophenyl)-5-methylol-pyrrolidin-3-yl]ethanone Formula: C29H36FN3O3 MolecularWeight: 493.612843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)CC(=O)C3CC(NC3)(CO)C4=CC=CC=C4F

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)CC(=O)C3CC(NC3)(CO)C4=CC=CC=C4F

InChI

InChI=1S/C29H36FN3O3/c1-3-4-10-23-16-21-9-5-6-11-24(21)28(32-23)36-15-14-33(2)19-27(35)22-17-29(20-34,31-18-22)25-12-7-8-13-26(25)30/h5-9,11-13,16,22,31,34H,3-4,10,14-15,17-20H2,1-2H3