[4-[[2-(3-butylisoquinolin-1-yl)oxyethyl-methyl-amino]methyl]-2-(hydroxymethyl)-2-phenyl-pyrrolidin-3-ylidene]methanone

Systemtic Name: [4-[[2-(3-butylisoquinolin-1-yl)oxyethyl-methyl-amino]methyl]-2-(hydroxymethyl)-2-phenyl-pyrrolidin-3-ylidene]methanone Openeye Name: [4-[[2-[(3-butyl-1-isoquinolyl)oxy]ethyl-methyl-amino]methyl]-2-(hydroxymethyl)-2-phenyl-pyrrolidin-3-ylidene]methanone CAS Name: [4-[[2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-methylamino]methyl]-2-(hydroxymethyl)-2-phenyl-3-pyrrolidinylidene]methanone IUPAC Name: [4-[[2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]methyl]-2-(hydroxymethyl)-2-phenylpyrrolidin-3-ylidene]methanone Traditional Name: [4-[[2-[(3-butyl-1-isoquinolyl)oxy]ethyl-methyl-amino]methyl]-2-methylol-2-phenyl-pyrrolidin-3-ylidene]methanone Formula: C29H35N3O3 MolecularWeight: 473.6065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H35N3O3/c1-3-4-13-25-17-22-10-8-9-14-26(22)28(31-25)35-16-15-32(2)19-23-18-30-29(21-34,27(23)20-33)24-11-6-5-7-12-24/h5-12,14,17,23,30,34H,3-4,13,15-16,18-19,21H2,1-2H3