3-[8-[(1-pyrimidin-5-ylcarbonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzenecarbonitrile

Systemtic Name: 3-[8-[(1-pyrimidin-5-ylcarbonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[[1-(pyrimidine-5-carbonyl)-4-piperidyl]amino]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[[1-[oxo(5-pyrimidinyl)methyl]-4-piperidinyl]amino]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[[1-(pyrimidine-5-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[[1-(pyrimidine-5-carbonyl)-4-piperidyl]amino]-6-isoquinolyl]benzonitrile Formula: C26H22N6O MolecularWeight: 434.49248

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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)C5=CN=CN=C5

Isomeric SMILES

C1CN(CCC1NC2=C3C=NC=CC3=CC(=C2)C4=CC=CC(=C4)C#N)C(=O)C5=CN=CN=C5

InChI

InChI=1S/C26H22N6O/c27-13-18-2-1-3-19(10-18)21-11-20-4-7-28-16-24(20)25(12-21)31-23-5-8-32(9-6-23)26(33)22-14-29-17-30-15-22/h1-4,7,10-12,14-17,23,31H,5-6,8-9H2