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

Systemtic Name: 4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]-1-(4-phenylpiperazin-1-yl)butan-1-one Openeye Name: 4-(3-isopentylimidazo[4,5-b]pyridin-2-yl)-1-(4-phenylpiperazin-1-yl)butan-1-one CAS Name: 4-[3-(3-methylbutyl)-2-imidazo[4,5-b]pyridinyl]-1-(4-phenyl-1-piperazinyl)-1-butanone IUPAC Name: 4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]-1-(4-phenylpiperazin-1-yl)butan-1-one Traditional Name: 4-(3-isoamylimidazo[4,5-b]pyridin-2-yl)-1-(4-phenylpiperazino)butan-1-one Formula: C25H33N5O MolecularWeight: 419.56242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NC2=C1N=CC=C2)CCCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCN1C(=NC2=C1N=CC=C2)CCCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H33N5O/c1-20(2)13-15-30-23(27-22-10-7-14-26-25(22)30)11-6-12-24(31)29-18-16-28(17-19-29)21-8-4-3-5-9-21/h3-5,7-10,14,20H,6,11-13,15-19H2,1-2H3