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

Systemtic Name: 2-[[4-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propylamino]phenyl]carbonylamino]-3-methoxy-N-methyl-N-[2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]benzamide Openeye Name: 2-[[4-[3-(1,3-dioxoisoindolin-2-yl)propylamino]benzoyl]amino]-3-methoxy-N-methyl-N-[2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]benzamide CAS Name: 2-[[[4-[3-(1,3-dioxo-2-isoindolyl)propylamino]phenyl]-oxomethyl]amino]-3-methoxy-N-methyl-N-[2-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]phenyl]benzamide IUPAC Name: 2-[[4-[3-(1,3-dioxoisoindol-2-yl)propylamino]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-2-[[4-(3-phthalimidopropylamino)benzoyl]amino]benzamide Formula: C44H50N6O7 MolecularWeight: 774.9038

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCCCCOC2=CC=CC=C2N(C)C(=O)C3=C(C(=CC=C3)OC)NC(=O)C4=CC=C(C=C4)NCCCN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

CN1CCN(CC1)C(=O)CCCCCOC2=CC=CC=C2N(C)C(=O)C3=C(C(=CC=C3)OC)NC(=O)C4=CC=C(C=C4)NCCCN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C44H50N6O7/c1-47-26-28-49(29-27-47)39(51)19-5-4-10-30-57-37-17-9-8-16-36(37)48(2)42(53)35-15-11-18-38(56-3)40(35)46-41(52)31-20-22-32(23-21-31)45-24-12-25-50-43(54)33-13-6-7-14-34(33)44(50)55/h6-9,11,13-18,20-23,45H,4-5,10,12,19,24-30H2,1-3H3,(H,46,52)