1-isoquinolin-5-yl-3-[2-(4-methoxyphenyl)-3-pyridin-3-yl-propyl]urea

Systemtic Name: 1-isoquinolin-5-yl-3-[2-(4-methoxyphenyl)-3-pyridin-3-yl-propyl]urea Openeye Name: 1-(5-isoquinolyl)-3-[2-(4-methoxyphenyl)-3-(3-pyridyl)propyl]urea CAS Name: 1-(5-isoquinolinyl)-3-[2-(4-methoxyphenyl)-3-(3-pyridinyl)propyl]urea IUPAC Name: 1-isoquinolin-5-yl-3-[2-(4-methoxyphenyl)-3-pyridin-3-ylpropyl]urea Traditional Name: 1-(5-isoquinolyl)-3-[2-(4-methoxyphenyl)-3-(3-pyridyl)propyl]urea Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC2=CN=CC=C2)CNC(=O)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(CC2=CN=CC=C2)CNC(=O)NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C25H24N4O2/c1-31-22-9-7-19(8-10-22)21(14-18-4-3-12-26-15-18)17-28-25(30)29-24-6-2-5-20-16-27-13-11-23(20)24/h2-13,15-16,21H,14,17H2,1H3,(H2,28,29,30)