1-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]-3-(4-pyridin-4-yloxyphenyl)urea

Systemtic Name: 1-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]-3-(4-pyridin-4-yloxyphenyl)urea Openeye Name: 1-[1-(4-methylpiperazin-1-yl)-3-isoquinolyl]-3-[4-(4-pyridyloxy)phenyl]urea CAS Name: 1-[1-(4-methyl-1-piperazinyl)-3-isoquinolinyl]-3-(4-pyridin-4-yloxyphenyl)urea IUPAC Name: 1-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]-3-(4-pyridin-4-yloxyphenyl)urea Traditional Name: 1-[1-(4-methylpiperazino)-3-isoquinolyl]-3-[4-(4-pyridyloxy)phenyl]urea Formula: C26H26N6O2 MolecularWeight: 454.52364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)NC(=O)NC4=CC=C(C=C4)OC5=CC=NC=C5

Isomeric SMILES

CN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)NC(=O)NC4=CC=C(C=C4)OC5=CC=NC=C5

InChI

InChI=1S/C26H26N6O2/c1-31-14-16-32(17-15-31)25-23-5-3-2-4-19(23)18-24(29-25)30-26(33)28-20-6-8-21(9-7-20)34-22-10-12-27-13-11-22/h2-13,18H,14-17H2,1H3,(H2,28,29,30,33)