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

Systemtic Name: 1-[1-butyl-4-(3-methoxyphenyl)-2-oxidanylidene-1,8-naphthyridin-3-yl]-3-[2-tert-butyl-5-(oxan-2-yloxymethyl)phenyl]urea Openeye Name: 1-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-3-[2-tert-butyl-5-(tetrahydropyran-2-yloxymethyl)phenyl]urea CAS Name: 1-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-3-[2-tert-butyl-5-(2-oxanyloxymethyl)phenyl]urea IUPAC Name: 1-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-3-[2-tert-butyl-5-(oxan-2-yloxymethyl)phenyl]urea Traditional Name: 1-[1-butyl-2-keto-4-(3-methoxyphenyl)-1,8-naphthyridin-3-yl]-3-[2-tert-butyl-5-(tetrahydropyran-2-yloxymethyl)phenyl]urea Formula: C36H44N4O5 MolecularWeight: 612.75836

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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)COC4CCCCO4)C(C)(C)C)C5=CC(=CC=C5)OC

Isomeric SMILES

CCCCN1C2=C(C=CC=N2)C(=C(C1=O)NC(=O)NC3=C(C=CC(=C3)COC4CCCCO4)C(C)(C)C)C5=CC(=CC=C5)OC

InChI

InChI=1S/C36H44N4O5/c1-6-7-19-40-33-27(14-11-18-37-33)31(25-12-10-13-26(22-25)43-5)32(34(40)41)39-35(42)38-29-21-24(16-17-28(29)36(2,3)4)23-45-30-15-8-9-20-44-30/h10-14,16-18,21-22,30H,6-9,15,19-20,23H2,1-5H3,(H2,38,39,42)