1-(azepan-1-yl)-4-[3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]butan-1-one

Systemtic Name: 1-(azepan-1-yl)-4-[3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]butan-1-one Openeye Name: 1-(azepan-1-yl)-4-[3-(3-pyridylmethyl)imidazo[4,5-b]pyridin-2-yl]butan-1-one CAS Name: 1-(1-azepanyl)-4-[3-(3-pyridinylmethyl)-2-imidazo[4,5-b]pyridinyl]-1-butanone IUPAC Name: 1-(azepan-1-yl)-4-[3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]butan-1-one Traditional Name: 1-(azepan-1-yl)-4-[3-(3-pyridylmethyl)imidazo[4,5-b]pyridin-2-yl]butan-1-one Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCCC2=NC3=C(N2CC4=CN=CC=C4)N=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)CCCC2=NC3=C(N2CC4=CN=CC=C4)N=CC=C3

InChI

InChI=1S/C22H27N5O/c28-21(26-14-3-1-2-4-15-26)11-5-10-20-25-19-9-7-13-24-22(19)27(20)17-18-8-6-12-23-16-18/h6-9,12-13,16H,1-5,10-11,14-15,17H2