2-[[2-(3-butylisoquinolin-1-yl)oxyethyl-methyl-amino]-methoxy-methyl]-1-methyl-piperidine-3-carbonitrile

Systemtic Name: 2-[[2-(3-butylisoquinolin-1-yl)oxyethyl-methyl-amino]-methoxy-methyl]-1-methyl-piperidine-3-carbonitrile Openeye Name: 2-[[2-[(3-butyl-1-isoquinolyl)oxy]ethyl-methyl-amino]-methoxy-methyl]-1-methyl-piperidine-3-carbonitrile CAS Name: 2-[[2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-methylamino]-methoxymethyl]-1-methyl-3-piperidinecarbonitrile IUPAC Name: 2-[[2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]-methoxymethyl]-1-methylpiperidine-3-carbonitrile Traditional Name: 2-[[2-[(3-butyl-1-isoquinolyl)oxy]ethyl-methyl-amino]-methoxy-methyl]-1-methyl-nipecotonitrile Formula: C25H36N4O2 MolecularWeight: 424.57894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)C(C3C(CCCN3C)C#N)OC

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)C(C3C(CCCN3C)C#N)OC

InChI

InChI=1S/C25H36N4O2/c1-5-6-12-21-17-19-10-7-8-13-22(19)24(27-21)31-16-15-29(3)25(30-4)23-20(18-26)11-9-14-28(23)2/h7-8,10,13,17,20,23,25H,5-6,9,11-12,14-16H2,1-4H3