1-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-[4-methoxy-3-(4-propan-2-ylpiperazin-1-yl)phenyl]hexan-1-one

Systemtic Name: 1-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-[4-methoxy-3-(4-propan-2-ylpiperazin-1-yl)phenyl]hexan-1-one Openeye Name: 1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-[3-(4-isopropylpiperazin-1-yl)-4-methoxy-phenyl]hexan-1-one CAS Name: 1-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-[4-methoxy-3-(4-propan-2-yl-1-piperazinyl)phenyl]-1-hexanone IUPAC Name: 1-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-[4-methoxy-3-(4-propan-2-ylpiperazin-1-yl)phenyl]hexan-1-one Traditional Name: 1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-[3-(4-isopropylpiperazino)-4-methoxy-phenyl]hexan-1-one Formula: C32H45FN4O4 MolecularWeight: 568.722503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC(=C(C=C1)OC)N2CCN(CC2)C(C)C)C(=O)N3CC4=CC(=C(C(=C4C3=N)F)OCC)OCC

Isomeric SMILES

CCCCC(C1=CC(=C(C=C1)OC)N2CCN(CC2)C(C)C)C(=O)N3CC4=CC(=C(C(=C4C3=N)F)OCC)OCC

InChI

InChI=1S/C32H45FN4O4/c1-7-10-11-24(22-12-13-26(39-6)25(18-22)36-16-14-35(15-17-36)21(4)5)32(38)37-20-23-19-27(40-8-2)30(41-9-3)29(33)28(23)31(37)34/h12-13,18-19,21,24,34H,7-11,14-17,20H2,1-6H3