1-[2-butyl-5-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-3-phenyl-urea

Systemtic Name: 1-[2-butyl-5-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-3-phenyl-urea Openeye Name: 1-[2-butyl-5-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-3-phenyl-urea CAS Name: 1-[2-butyl-5-methyl-3-[(3-nitrophenyl)methyl]-6-imidazo[4,5-b]pyridinyl]-3-phenylurea IUPAC Name: 1-[2-butyl-5-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-3-phenylurea Traditional Name: 1-[2-butyl-5-methyl-3-(3-nitrobenzyl)imidazo[4,5-b]pyridin-6-yl]-3-phenyl-urea Formula: C25H26N6O3 MolecularWeight: 458.51234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC(=C(N=C2N1CC3=CC(=CC=C3)[N+](=O)[O-])C)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

CCCCC1=NC2=CC(=C(N=C2N1CC3=CC(=CC=C3)[N+](=O)[O-])C)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H26N6O3/c1-3-4-13-23-28-22-15-21(29-25(32)27-19-10-6-5-7-11-19)17(2)26-24(22)30(23)16-18-9-8-12-20(14-18)31(33)34/h5-12,14-15H,3-4,13,16H2,1-2H3,(H2,27,29,32)