N-[2-butyl-5-methyl-3-[(2-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]benzamide

Systemtic Name: N-[2-butyl-5-methyl-3-[(2-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]benzamide Openeye Name: N-[2-butyl-5-methyl-3-[(2-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]benzamide CAS Name: N-[2-butyl-5-methyl-3-[(2-nitrophenyl)methyl]-6-imidazo[4,5-b]pyridinyl]benzamide IUPAC Name: N-[2-butyl-5-methyl-3-[(2-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]benzamide Traditional Name: N-[2-butyl-5-methyl-3-(2-nitrobenzyl)imidazo[4,5-b]pyridin-6-yl]benzamide Formula: C25H25N5O3 MolecularWeight: 443.4977

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O3/c1-3-4-14-23-27-21-15-20(28-25(31)18-10-6-5-7-11-18)17(2)26-24(21)29(23)16-19-12-8-9-13-22(19)30(32)33/h5-13,15H,3-4,14,16H2,1-2H3,(H,28,31)