3-[[2-(3-butylisoquinolin-1-yl)oxyethyl-methyl-amino]methylamino]-5-methoxy-2-methyl-benzenecarbonitrile

Systemtic Name: 3-[[2-(3-butylisoquinolin-1-yl)oxyethyl-methyl-amino]methylamino]-5-methoxy-2-methyl-benzenecarbonitrile Openeye Name: 3-[[2-[(3-butyl-1-isoquinolyl)oxy]ethyl-methyl-amino]methylamino]-5-methoxy-2-methyl-benzonitrile CAS Name: 3-[[2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-methylamino]methylamino]-5-methoxy-2-methylbenzonitrile IUPAC Name: 3-[[2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]methylamino]-5-methoxy-2-methylbenzonitrile Traditional Name: 3-[[2-[(3-butyl-1-isoquinolyl)oxy]ethyl-methyl-amino]methylamino]-5-methoxy-2-methyl-benzonitrile Formula: C26H32N4O2 MolecularWeight: 432.55788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)CNC3=C(C(=CC(=C3)OC)C#N)C

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)CNC3=C(C(=CC(=C3)OC)C#N)C

InChI

InChI=1S/C26H32N4O2/c1-5-6-10-22-14-20-9-7-8-11-24(20)26(29-22)32-13-12-30(3)18-28-25-16-23(31-4)15-21(17-27)19(25)2/h7-9,11,14-16,28H,5-6,10,12-13,18H2,1-4H3