4-[[2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propoxy]phenyl]carbonylamino]-3-methoxy-N-methyl-N-[2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]benzamide

Systemtic Name: 4-[[2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propoxy]phenyl]carbonylamino]-3-methoxy-N-methyl-N-[2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]benzamide Openeye Name: 4-[[2-[3-(1,3-dioxoisoindolin-2-yl)propoxy]benzoyl]amino]-3-methoxy-N-methyl-N-[2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]benzamide CAS Name: 4-[[[2-[3-(1,3-dioxo-2-isoindolyl)propoxy]phenyl]-oxomethyl]amino]-3-methoxy-N-methyl-N-[2-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]phenyl]benzamide IUPAC Name: 4-[[2-[3-(1,3-dioxoisoindol-2-yl)propoxy]benzoyl]amino]-3-methoxy-N-methyl-N-[2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]benzamide Traditional Name: N-[2-[6-keto-6-(4-methylpiperazino)hexoxy]phenyl]-3-methoxy-N-methyl-4-[[2-(3-phthalimidopropoxy)benzoyl]amino]benzamide Formula: C44H49N5O8 MolecularWeight: 775.88856

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCCCCOC2=CC=CC=C2N(C)C(=O)C3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4OCCCN5C(=O)C6=CC=CC=C6C5=O)OC

Isomeric SMILES

CN1CCN(CC1)C(=O)CCCCCOC2=CC=CC=C2N(C)C(=O)C3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4OCCCN5C(=O)C6=CC=CC=C6C5=O)OC

InChI

InChI=1S/C44H49N5O8/c1-46-24-26-48(27-25-46)40(50)20-5-4-12-28-57-38-19-11-9-17-36(38)47(2)42(52)31-21-22-35(39(30-31)55-3)45-41(51)34-16-8-10-18-37(34)56-29-13-23-49-43(53)32-14-6-7-15-33(32)44(49)54/h6-11,14-19,21-22,30H,4-5,12-13,20,23-29H2,1-3H3,(H,45,51)