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

Systemtic Name: 3-[8-[[1-(2-cyclopropylethanoyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[[1-(2-cyclopropylacetyl)-4-piperidyl]amino]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[[1-(2-cyclopropyl-1-oxoethyl)-4-piperidinyl]amino]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[[1-(2-cyclopropylacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[[1-(2-cyclopropylacetyl)-4-piperidyl]amino]-6-isoquinolyl]benzonitrile Formula: C26H26N4O MolecularWeight: 410.51084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1CC(=O)N2CCC(CC2)NC3=C4C=NC=CC4=CC(=C3)C5=CC=CC(=C5)C#N

Isomeric SMILES

C1CC1CC(=O)N2CCC(CC2)NC3=C4C=NC=CC4=CC(=C3)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C26H26N4O/c27-16-19-2-1-3-20(12-19)22-14-21-6-9-28-17-24(21)25(15-22)29-23-7-10-30(11-8-23)26(31)13-18-4-5-18/h1-3,6,9,12,14-15,17-18,23,29H,4-5,7-8,10-11,13H2