4-[1-(3-oxidanylidenebutyl)pyrrolo[2,3-b]pyridin-3-yl]-4-phenyl-butan-2-one

Systemtic Name: 4-[1-(3-oxidanylidenebutyl)pyrrolo[2,3-b]pyridin-3-yl]-4-phenyl-butan-2-one Openeye Name: 4-[1-(3-oxobutyl)pyrrolo[2,3-b]pyridin-3-yl]-4-phenyl-butan-2-one CAS Name: 4-[1-(3-oxobutyl)-3-pyrrolo[2,3-b]pyridinyl]-4-phenyl-2-butanone IUPAC Name: 4-[1-(3-oxobutyl)pyrrolo[2,3-b]pyridin-3-yl]-4-phenylbutan-2-one Traditional Name: 4-[1-(3-ketobutyl)pyrrolo[2,3-b]pyridin-3-yl]-4-phenyl-butan-2-one Formula: C21H22N2O2 MolecularWeight: 334.41158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1C=C(C2=C1N=CC=C2)C(CC(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC(=O)CCN1C=C(C2=C1N=CC=C2)C(CC(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O2/c1-15(24)10-12-23-14-20(18-9-6-11-22-21(18)23)19(13-16(2)25)17-7-4-3-5-8-17/h3-9,11,14,19H,10,12-13H2,1-2H3