1-[1-butyl-2-oxidanylidene-4-(5-phenylmethoxy-2-propan-2-yloxy-phenyl)pyridin-3-yl]-3-[2-tert-butyl-5-(pyrazol-1-ylmethyl)phenyl]urea

Systemtic Name: 1-[1-butyl-2-oxidanylidene-4-(5-phenylmethoxy-2-propan-2-yloxy-phenyl)pyridin-3-yl]-3-[2-tert-butyl-5-(pyrazol-1-ylmethyl)phenyl]urea Openeye Name: 1-[4-(5-benzyloxy-2-isopropoxy-phenyl)-1-butyl-2-oxo-3-pyridyl]-3-[2-tert-butyl-5-(pyrazol-1-ylmethyl)phenyl]urea CAS Name: 1-[1-butyl-2-oxo-4-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-3-pyridinyl]-3-[2-tert-butyl-5-(1-pyrazolylmethyl)phenyl]urea IUPAC Name: 1-[1-butyl-2-oxo-4-(5-phenylmethoxy-2-propan-2-yloxyphenyl)pyridin-3-yl]-3-[2-tert-butyl-5-(pyrazol-1-ylmethyl)phenyl]urea Traditional Name: 1-[4-(5-benzoxy-2-isopropoxy-phenyl)-1-butyl-2-keto-3-pyridyl]-3-[2-tert-butyl-5-(pyrazol-1-ylmethyl)phenyl]urea Formula: C40H47N5O4 MolecularWeight: 661.83228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=CC(=C(C1=O)NC(=O)NC2=C(C=CC(=C2)CN3C=CC=N3)C(C)(C)C)C4=C(C=CC(=C4)OCC5=CC=CC=C5)OC(C)C

Isomeric SMILES

CCCCN1C=CC(=C(C1=O)NC(=O)NC2=C(C=CC(=C2)CN3C=CC=N3)C(C)(C)C)C4=C(C=CC(=C4)OCC5=CC=CC=C5)OC(C)C

InChI

InChI=1S/C40H47N5O4/c1-7-8-21-44-23-19-32(33-25-31(16-18-36(33)49-28(2)3)48-27-29-13-10-9-11-14-29)37(38(44)46)43-39(47)42-35-24-30(26-45-22-12-20-41-45)15-17-34(35)40(4,5)6/h9-20,22-25,28H,7-8,21,26-27H2,1-6H3,(H2,42,43,47)