1-(pyridin-2-ylmethyl)-3-(2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)urea

Systemtic Name: 1-(pyridin-2-ylmethyl)-3-(2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)urea Openeye Name: 1-(2-pyridylmethyl)-3-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolyl)urea CAS Name: 1-(2-pyridinylmethyl)-3-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolinyl)urea IUPAC Name: 1-(pyridin-2-ylmethyl)-3-(2,6,7-trimethyl-1-oxo-4-phenylisoquinolin-3-yl)urea Traditional Name: 1-(1-keto-2,6,7-trimethyl-4-phenyl-3-isoquinolyl)-3-(2-pyridylmethyl)urea Formula: C25H24N4O2 MolecularWeight: 412.48366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)NC(=O)NCC3=CC=CC=N3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)NC(=O)NCC3=CC=CC=N3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H24N4O2/c1-16-13-20-21(14-17(16)2)24(30)29(3)23(22(20)18-9-5-4-6-10-18)28-25(31)27-15-19-11-7-8-12-26-19/h4-14H,15H2,1-3H3,(H2,27,28,31)