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

Systemtic Name: tert-butyl N-[2-butyl-5-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]carbamate Openeye Name: tert-butyl N-[2-butyl-5-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]carbamate CAS Name: N-[2-butyl-5-methyl-3-[(3-nitrophenyl)methyl]-6-imidazo[4,5-b]pyridinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-butyl-5-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]carbamate Traditional Name: N-[2-butyl-5-methyl-3-(3-nitrobenzyl)imidazo[4,5-b]pyridin-6-yl]carbamic acid tert-butyl ester Formula: C23H29N5O4 MolecularWeight: 439.50746

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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)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O4/c1-6-7-11-20-25-19-13-18(26-22(29)32-23(3,4)5)15(2)24-21(19)27(20)14-16-9-8-10-17(12-16)28(30)31/h8-10,12-13H,6-7,11,14H2,1-5H3,(H,26,29)