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

Systemtic Name: 1-[2-tert-butyl-5-(imidazol-1-ylmethyl)phenyl]-3-[4-(3-methoxyphenyl)-2-oxidanylidene-1-pent-4-enyl-1,8-naphthyridin-3-yl]urea Openeye Name: 1-[2-tert-butyl-5-(imidazol-1-ylmethyl)phenyl]-3-[4-(3-methoxyphenyl)-2-oxo-1-pent-4-enyl-1,8-naphthyridin-3-yl]urea CAS Name: 1-[2-tert-butyl-5-(1-imidazolylmethyl)phenyl]-3-[4-(3-methoxyphenyl)-2-oxo-1-pent-4-enyl-1,8-naphthyridin-3-yl]urea IUPAC Name: 1-[2-tert-butyl-5-(imidazol-1-ylmethyl)phenyl]-3-[4-(3-methoxyphenyl)-2-oxo-1-pent-4-enyl-1,8-naphthyridin-3-yl]urea Traditional Name: 1-[2-tert-butyl-5-(imidazol-1-ylmethyl)phenyl]-3-[2-keto-4-(3-methoxyphenyl)-1-pent-4-enyl-1,8-naphthyridin-3-yl]urea Formula: C35H38N6O3 MolecularWeight: 590.71462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)CN2C=CN=C2)NC(=O)NC3=C(C4=C(N=CC=C4)N(C3=O)CCCC=C)C5=CC(=CC=C5)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)CN2C=CN=C2)NC(=O)NC3=C(C4=C(N=CC=C4)N(C3=O)CCCC=C)C5=CC(=CC=C5)OC

InChI

InChI=1S/C35H38N6O3/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/h6,9-17,19-21,23H,1,7-8,18,22H2,2-5H3,(H2,38,39,43)