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

Systemtic Name: 3-[8-[(1-morpholin-3-ylcarbonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[[1-(morpholine-3-carbonyl)-4-piperidyl]amino]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[[1-[3-morpholinyl(oxo)methyl]-4-piperidinyl]amino]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[[1-(morpholine-3-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[[1-(morpholine-3-carbonyl)-4-piperidyl]amino]-6-isoquinolyl]benzonitrile Formula: C26H27N5O2 MolecularWeight: 441.52488

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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)C5COCCN5

Isomeric SMILES

C1CN(CCC1NC2=C3C=NC=CC3=CC(=C2)C4=CC=CC(=C4)C#N)C(=O)C5COCCN5

InChI

InChI=1S/C26H27N5O2/c27-15-18-2-1-3-19(12-18)21-13-20-4-7-28-16-23(20)24(14-21)30-22-5-9-31(10-6-22)26(32)25-17-33-11-8-29-25/h1-4,7,12-14,16,22,25,29-30H,5-6,8-11,17H2