1-[1-butyl-4-(3-hydroxyphenyl)-2-oxidanylidene-1,8-naphthyridin-3-yl]-3-[2-tert-butyl-5-(imidazol-1-ylmethyl)phenyl]urea

Systemtic Name: 1-[1-butyl-4-(3-hydroxyphenyl)-2-oxidanylidene-1,8-naphthyridin-3-yl]-3-[2-tert-butyl-5-(imidazol-1-ylmethyl)phenyl]urea Openeye Name: 1-[1-butyl-4-(3-hydroxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-3-[2-tert-butyl-5-(imidazol-1-ylmethyl)phenyl]urea CAS Name: 1-[1-butyl-4-(3-hydroxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-3-[2-tert-butyl-5-(1-imidazolylmethyl)phenyl]urea IUPAC Name: 1-[1-butyl-4-(3-hydroxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-3-[2-tert-butyl-5-(imidazol-1-ylmethyl)phenyl]urea Traditional Name: 1-[1-butyl-4-(3-hydroxyphenyl)-2-keto-1,8-naphthyridin-3-yl]-3-[2-tert-butyl-5-(imidazol-1-ylmethyl)phenyl]urea Formula: C33H36N6O3 MolecularWeight: 564.67734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC=N2)C(=C(C1=O)NC(=O)NC3=C(C=CC(=C3)CN4C=CN=C4)C(C)(C)C)C5=CC(=CC=C5)O

Isomeric SMILES

CCCCN1C2=C(C=CC=N2)C(=C(C1=O)NC(=O)NC3=C(C=CC(=C3)CN4C=CN=C4)C(C)(C)C)C5=CC(=CC=C5)O

InChI

InChI=1S/C33H36N6O3/c1-5-6-16-39-30-25(11-8-14-35-30)28(23-9-7-10-24(40)19-23)29(31(39)41)37-32(42)36-27-18-22(20-38-17-15-34-21-38)12-13-26(27)33(2,3)4/h7-15,17-19,21,40H,5-6,16,20H2,1-4H3,(H2,36,37,42)