3-[8-[[1-(2-oxidanylethanoyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzenecarbonitrile

Systemtic Name: 3-[8-[[1-(2-oxidanylethanoyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[[1-(2-hydroxyacetyl)-4-piperidyl]amino]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[[1-(2-hydroxy-1-oxoethyl)-4-piperidinyl]amino]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[(1-glycoloyl-4-piperidyl)amino]-6-isoquinolyl]benzonitrile Formula: C23H22N4O2 MolecularWeight: 386.44638

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=C3C=NC=CC3=CC(=C2)C4=CC=CC(=C4)C#N)C(=O)CO

Isomeric SMILES

C1CN(CCC1NC2=C3C=NC=CC3=CC(=C2)C4=CC=CC(=C4)C#N)C(=O)CO

InChI

InChI=1S/C23H22N4O2/c24-13-16-2-1-3-17(10-16)19-11-18-4-7-25-14-21(18)22(12-19)26-20-5-8-27(9-6-20)23(29)15-28/h1-4,7,10-12,14,20,26,28H,5-6,8-9,15H2