4-[[2-(3-butylisoquinolin-1-yl)oxyethyl-methyl-amino]-methoxy-methyl]-1-methyl-piperidine-3-carbonitrile

Systemtic Name: 4-[[2-(3-butylisoquinolin-1-yl)oxyethyl-methyl-amino]-methoxy-methyl]-1-methyl-piperidine-3-carbonitrile Openeye Name: 4-[[2-[(3-butyl-1-isoquinolyl)oxy]ethyl-methyl-amino]-methoxy-methyl]-1-methyl-piperidine-3-carbonitrile CAS Name: 4-[[2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-methylamino]-methoxymethyl]-1-methyl-3-piperidinecarbonitrile IUPAC Name: 4-[[2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]-methoxymethyl]-1-methylpiperidine-3-carbonitrile Traditional Name: 4-[[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(C3CCN(CC3C#N)C)OC

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)C(C3CCN(CC3C#N)C)OC

InChI

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