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

Systemtic Name: 1-[1-butyl-4-(3-methoxyphenyl)-2-oxidanylidene-1,8-naphthyridin-3-yl]-3-[2-tert-butyl-5-(pyridin-3-ylmethoxymethyl)phenyl]urea Openeye Name: 1-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-3-[2-tert-butyl-5-(3-pyridylmethoxymethyl)phenyl]urea CAS Name: 1-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-3-[2-tert-butyl-5-(3-pyridinylmethoxymethyl)phenyl]urea IUPAC Name: 1-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-3-[2-tert-butyl-5-(pyridin-3-ylmethoxymethyl)phenyl]urea Traditional Name: 1-[1-butyl-2-keto-4-(3-methoxyphenyl)-1,8-naphthyridin-3-yl]-3-[2-tert-butyl-5-(3-pyridylmethoxymethyl)phenyl]urea Formula: C37H41N5O4 MolecularWeight: 619.75254

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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)COCC4=CN=CC=C4)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)COCC4=CN=CC=C4)C(C)(C)C)C5=CC(=CC=C5)OC

InChI

InChI=1S/C37H41N5O4/c1-6-7-19-42-34-29(14-10-18-39-34)32(27-12-8-13-28(21-27)45-5)33(35(42)43)41-36(44)40-31-20-25(15-16-30(31)37(2,3)4)23-46-24-26-11-9-17-38-22-26/h8-18,20-22H,6-7,19,23-24H2,1-5H3,(H2,40,41,44)