ethyl 4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]azepane-1-carboxylate

Systemtic Name: ethyl 4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]azepane-1-carboxylate Openeye Name: ethyl 4-[[3-(2-furylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]azepane-1-carboxylate CAS Name: 4-[[3-(2-furanylmethyl)-2-imidazo[4,5-b]pyridinyl]amino]-1-azepanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]azepane-1-carboxylate Traditional Name: 4-[[3-(2-furfuryl)imidazo[4,5-b]pyridin-2-yl]amino]azepane-1-carboxylic acid ethyl ester Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCCC(CC1)NC2=NC3=C(N2CC4=CC=CO4)N=CC=C3

Isomeric SMILES

CCOC(=O)N1CCCC(CC1)NC2=NC3=C(N2CC4=CC=CO4)N=CC=C3

InChI

InChI=1S/C20H25N5O3/c1-2-27-20(26)24-11-4-6-15(9-12-24)22-19-23-17-8-3-10-21-18(17)25(19)14-16-7-5-13-28-16/h3,5,7-8,10,13,15H,2,4,6,9,11-12,14H2,1H3,(H,22,23)