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

Systemtic Name: 3-azanyl-4-[2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propoxy]phenyl]carbonyl-2-chloranyl-N-methyl-N-[2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]benzamide Openeye Name: 3-amino-2-chloro-4-[2-[3-(1,3-dioxoisoindolin-2-yl)propoxy]benzoyl]-N-methyl-N-[2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]benzamide CAS Name: 3-amino-2-chloro-4-[[2-[3-(1,3-dioxo-2-isoindolyl)propoxy]phenyl]-oxomethyl]-N-methyl-N-[2-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]phenyl]benzamide IUPAC Name: 3-amino-2-chloro-4-[2-[3-(1,3-dioxoisoindol-2-yl)propoxy]benzoyl]-N-methyl-N-[2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]benzamide Traditional Name: 3-amino-2-chloro-N-[2-[6-keto-6-(4-methylpiperazino)hexoxy]phenyl]-N-methyl-4-[2-(3-phthalimidopropoxy)benzoyl]benzamide Formula: C43H46ClN5O7 MolecularWeight: 780.30764

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCCCCOC2=CC=CC=C2N(C)C(=O)C3=C(C(=C(C=C3)C(=O)C4=CC=CC=C4OCCCN5C(=O)C6=CC=CC=C6C5=O)N)Cl

Isomeric SMILES

CN1CCN(CC1)C(=O)CCCCCOC2=CC=CC=C2N(C)C(=O)C3=C(C(=C(C=C3)C(=O)C4=CC=CC=C4OCCCN5C(=O)C6=CC=CC=C6C5=O)N)Cl

InChI

InChI=1S/C43H46ClN5O7/c1-46-23-25-48(26-24-46)37(50)19-4-3-11-27-56-36-18-10-8-16-34(36)47(2)41(52)32-20-21-33(39(45)38(32)44)40(51)31-15-7-9-17-35(31)55-28-12-22-49-42(53)29-13-5-6-14-30(29)43(49)54/h5-10,13-18,20-21H,3-4,11-12,19,22-28,45H2,1-2H3