[4-[[6-[3-(hydroxymethyl)phenyl]isoquinolin-8-yl]amino]piperidin-1-yl]-pyridin-3-yl-methanone

Systemtic Name: [4-[[6-[3-(hydroxymethyl)phenyl]isoquinolin-8-yl]amino]piperidin-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-[[6-[3-(hydroxymethyl)phenyl]-8-isoquinolyl]amino]-1-piperidyl]-(3-pyridyl)methanone CAS Name: [4-[[6-[3-(hydroxymethyl)phenyl]-8-isoquinolinyl]amino]-1-piperidinyl]-(3-pyridinyl)methanone IUPAC Name: [4-[[6-[3-(hydroxymethyl)phenyl]isoquinolin-8-yl]amino]piperidin-1-yl]-pyridin-3-ylmethanone Traditional Name: [4-[[6-(3-methylolphenyl)-8-isoquinolyl]amino]piperidino]-(3-pyridyl)methanone Formula: C27H26N4O2 MolecularWeight: 438.52094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O2/c32-18-19-3-1-4-20(13-19)23-14-21-6-10-29-17-25(21)26(15-23)30-24-7-11-31(12-8-24)27(33)22-5-2-9-28-16-22/h1-6,9-10,13-17,24,30,32H,7-8,11-12,18H2