1-[5-(bromomethyl)-2-tert-butyl-phenyl]-3-[1-butyl-4-(3-methoxyphenyl)-2-oxidanylidene-1,8-naphthyridin-3-yl]urea

Systemtic Name: 1-[5-(bromomethyl)-2-tert-butyl-phenyl]-3-[1-butyl-4-(3-methoxyphenyl)-2-oxidanylidene-1,8-naphthyridin-3-yl]urea Openeye Name: 1-[5-(bromomethyl)-2-tert-butyl-phenyl]-3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]urea CAS Name: 1-[5-(bromomethyl)-2-tert-butylphenyl]-3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]urea IUPAC Name: 1-[5-(bromomethyl)-2-tert-butylphenyl]-3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]urea Traditional Name: 1-[5-(bromomethyl)-2-tert-butyl-phenyl]-3-[1-butyl-2-keto-4-(3-methoxyphenyl)-1,8-naphthyridin-3-yl]urea Formula: C31H35BrN4O3 MolecularWeight: 591.5386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC=N2)C(=C(C1=O)NC(=O)NC3=C(C=CC(=C3)CBr)C(C)(C)C)C4=CC(=CC=C4)OC

Isomeric SMILES

CCCCN1C2=C(C=CC=N2)C(=C(C1=O)NC(=O)NC3=C(C=CC(=C3)CBr)C(C)(C)C)C4=CC(=CC=C4)OC

InChI

InChI=1S/C31H35BrN4O3/c1-6-7-16-36-28-23(12-9-15-33-28)26(21-10-8-11-22(18-21)39-5)27(29(36)37)35-30(38)34-25-17-20(19-32)13-14-24(25)31(2,3)4/h8-15,17-18H,6-7,16,19H2,1-5H3,(H2,34,35,38)