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

Systemtic Name: 1-[2-tert-butyl-5-(imidazol-1-ylmethyl)phenyl]-3-[4-(3-methoxyphenyl)-2-oxidanylidene-1-pentyl-1,8-naphthyridin-3-yl]urea Openeye Name: 1-[2-tert-butyl-5-(imidazol-1-ylmethyl)phenyl]-3-[4-(3-methoxyphenyl)-2-oxo-1-pentyl-1,8-naphthyridin-3-yl]urea CAS Name: 1-[2-tert-butyl-5-(1-imidazolylmethyl)phenyl]-3-[4-(3-methoxyphenyl)-2-oxo-1-pentyl-1,8-naphthyridin-3-yl]urea IUPAC Name: 1-[2-tert-butyl-5-(imidazol-1-ylmethyl)phenyl]-3-[4-(3-methoxyphenyl)-2-oxo-1-pentyl-1,8-naphthyridin-3-yl]urea Traditional Name: 1-[1-amyl-2-keto-4-(3-methoxyphenyl)-1,8-naphthyridin-3-yl]-3-[2-tert-butyl-5-(imidazol-1-ylmethyl)phenyl]urea Formula: C35H40N6O3 MolecularWeight: 592.7305

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=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)OC

Isomeric SMILES

CCCCCN1C2=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)OC

InChI

InChI=1S/C35H40N6O3/c1-6-7-8-18-41-32-27(13-10-16-37-32)30(25-11-9-12-26(21-25)44-5)31(33(41)42)39-34(43)38-29-20-24(22-40-19-17-36-23-40)14-15-28(29)35(2,3)4/h9-17,19-21,23H,6-8,18,22H2,1-5H3,(H2,38,39,43)