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

Systemtic Name: 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butoxy]-N-[4-[methyl-[2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]carbamoyl]phenyl]benzamide Openeye Name: 2-[4-(1,3-dioxoisoindolin-2-yl)butoxy]-N-[4-[methyl-[2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]carbamoyl]phenyl]benzamide CAS Name: 2-[4-(1,3-dioxo-2-isoindolyl)butoxy]-N-[4-[[N-methyl-2-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]anilino]-oxomethyl]phenyl]benzamide IUPAC Name: 2-[4-(1,3-dioxoisoindol-2-yl)butoxy]-N-[4-[methyl-[2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]carbamoyl]phenyl]benzamide Traditional Name: N-[4-[[2-[6-keto-6-(4-methylpiperazino)hexoxy]phenyl]-methyl-carbamoyl]phenyl]-2-(4-phthalimidobutoxy)benzamide Formula: C44H49N5O7 MolecularWeight: 759.88916

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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=C4OCCCCN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

CN1CCN(CC1)C(=O)CCCCCOC2=CC=CC=C2N(C)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4OCCCCN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C44H49N5O7/c1-46-26-28-48(29-27-46)40(50)20-4-3-12-30-56-39-19-10-8-17-37(39)47(2)42(52)32-21-23-33(24-22-32)45-41(51)36-16-7-9-18-38(36)55-31-13-11-25-49-43(53)34-14-5-6-15-35(34)44(49)54/h5-10,14-19,21-24H,3-4,11-13,20,25-31H2,1-2H3,(H,45,51)