3-[8-[(1-ethanoylpiperidin-4-yl)methylamino]isoquinolin-6-yl]benzenecarbonitrile

Systemtic Name: 3-[8-[(1-ethanoylpiperidin-4-yl)methylamino]isoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[(1-acetyl-4-piperidyl)methylamino]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[(1-acetyl-4-piperidinyl)methylamino]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[(1-acetylpiperidin-4-yl)methylamino]isoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[(1-acetyl-4-piperidyl)methylamino]-6-isoquinolyl]benzonitrile Formula: C24H24N4O MolecularWeight: 384.47356

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)CNC2=C3C=NC=CC3=CC(=C2)C4=CC=CC(=C4)C#N

Isomeric SMILES

CC(=O)N1CCC(CC1)CNC2=C3C=NC=CC3=CC(=C2)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C24H24N4O/c1-17(29)28-9-6-18(7-10-28)15-27-24-13-22(12-21-5-8-26-16-23(21)24)20-4-2-3-19(11-20)14-25/h2-5,8,11-13,16,18,27H,6-7,9-10,15H2,1H3