3-(1H-indol-3-yl)-2-(isoquinolin-4-ylamino)-2-methyl-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide

Systemtic Name: 3-(1H-indol-3-yl)-2-(isoquinolin-4-ylamino)-2-methyl-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide Openeye Name: 3-(1H-indol-3-yl)-2-(4-isoquinolylamino)-2-methyl-N-[[1-(2-pyridyl)cyclohexyl]methyl]propanamide CAS Name: 3-(1H-indol-3-yl)-2-(4-isoquinolinylamino)-2-methyl-N-[[1-(2-pyridinyl)cyclohexyl]methyl]propanamide IUPAC Name: 3-(1H-indol-3-yl)-2-(isoquinolin-4-ylamino)-2-methyl-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide Traditional Name: 3-(1H-indol-3-yl)-2-(4-isoquinolylamino)-2-methyl-N-[[1-(2-pyridyl)cyclohexyl]methyl]propionamide Formula: C33H35N5O MolecularWeight: 517.6639

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)(C(=O)NCC3(CCCCC3)C4=CC=CC=N4)NC5=CN=CC6=CC=CC=C65

Isomeric SMILES

CC(CC1=CNC2=CC=CC=C21)(C(=O)NCC3(CCCCC3)C4=CC=CC=N4)NC5=CN=CC6=CC=CC=C65

InChI

InChI=1S/C33H35N5O/c1-32(19-25-21-36-28-14-6-5-13-27(25)28,38-29-22-34-20-24-11-3-4-12-26(24)29)31(39)37-23-33(16-8-2-9-17-33)30-15-7-10-18-35-30/h3-7,10-15,18,20-22,36,38H,2,8-9,16-17,19,23H2,1H3,(H,37,39)