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

Systemtic Name: 3-[8-[[1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[[1-(2-oxo-2-pyrrolidin-1-yl-ethyl)-4-piperidyl]amino]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[[1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-piperidinyl]amino]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[[1-(2-keto-2-pyrrolidino-ethyl)-4-piperidyl]amino]-6-isoquinolyl]benzonitrile Formula: C27H29N5O MolecularWeight: 439.55206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CCC(CC2)NC3=C4C=NC=CC4=CC(=C3)C5=CC=CC(=C5)C#N

Isomeric SMILES

C1CCN(C1)C(=O)CN2CCC(CC2)NC3=C4C=NC=CC4=CC(=C3)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C27H29N5O/c28-17-20-4-3-5-21(14-20)23-15-22-6-9-29-18-25(22)26(16-23)30-24-7-12-31(13-8-24)19-27(33)32-10-1-2-11-32/h3-6,9,14-16,18,24,30H,1-2,7-8,10-13,19H2