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

Systemtic Name: 3-[8-[(1-ethanoylpiperidin-4-yl)amino]isoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[(1-acetyl-4-piperidyl)amino]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[(1-acetyl-4-piperidinyl)amino]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[(1-acetylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[(1-acetyl-4-piperidyl)amino]-6-isoquinolyl]benzonitrile Formula: C23H22N4O MolecularWeight: 370.44698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)NC2=C3C=NC=CC3=CC(=C2)C4=CC=CC(=C4)C#N

Isomeric SMILES

CC(=O)N1CCC(CC1)NC2=C3C=NC=CC3=CC(=C2)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C23H22N4O/c1-16(28)27-9-6-21(7-10-27)26-23-13-20(12-19-5-8-25-15-22(19)23)18-4-2-3-17(11-18)14-24/h2-5,8,11-13,15,21,26H,6-7,9-10H2,1H3