2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]ethanenitrile

Systemtic Name: 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]ethanenitrile Openeye Name: 2-[3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]acetonitrile CAS Name: 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]acetonitrile IUPAC Name: 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]acetonitrile Traditional Name: 2-[3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]acetonitrile Formula: C22H23N3O MolecularWeight: 345.43752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)CC#N)C3=CC=CC=C3)CN

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)CC#N)C3=CC=CC=C3)CN

InChI

InChI=1S/C22H23N3O/c1-15(2)14-25-20(13-24)21(17-6-4-3-5-7-17)19-12-16(10-11-23)8-9-18(19)22(25)26/h3-9,12,15H,10,13-14,24H2,1-2H3