1-[5-tert-butyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazol-3-yl]-3-(3-pyridin-3-yloxyphenyl)urea

Systemtic Name: 1-[5-tert-butyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazol-3-yl]-3-(3-pyridin-3-yloxyphenyl)urea Openeye Name: 1-[5-tert-butyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazol-3-yl]-3-[3-(3-pyridyloxy)phenyl]urea CAS Name: 1-[5-tert-butyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyrazolyl]-3-[3-(3-pyridinyloxy)phenyl]urea IUPAC Name: 1-[5-tert-butyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazol-3-yl]-3-(3-pyridin-3-yloxyphenyl)urea Traditional Name: 1-[5-tert-butyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazol-3-yl]-3-[3-(3-pyridyloxy)phenyl]urea Formula: C28H30N6O2 MolecularWeight: 482.5768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC(=CC=C2)OC3=CN=CC=C3)C4=CC5=C(CNCC5)C=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC(=CC=C2)OC3=CN=CC=C3)C4=CC5=C(CNCC5)C=C4

InChI

InChI=1S/C28H30N6O2/c1-28(2,3)25-16-26(34(33-25)22-10-9-20-17-30-13-11-19(20)14-22)32-27(35)31-21-6-4-7-23(15-21)36-24-8-5-12-29-18-24/h4-10,12,14-16,18,30H,11,13,17H2,1-3H3,(H2,31,32,35)