4-[2-(aminomethyl)-1H-benzimidazol-4-yl]-3-methoxy-N1-methyl-N1-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]benzene-1,2-dicarboxamide

Systemtic Name: 4-[2-(aminomethyl)-1H-benzimidazol-4-yl]-3-methoxy-N1-methyl-N1-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]benzene-1,2-dicarboxamide Openeye Name: 4-[2-(aminomethyl)-1H-benzimidazol-4-yl]-3-methoxy-N1-methyl-N1-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]phthalamide CAS Name: 4-[2-(aminomethyl)-1H-benzimidazol-4-yl]-3-methoxy-N1-methyl-N1-[4-methyl-2-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]phenyl]benzene-1,2-dicarboxamide IUPAC Name: 4-[2-(aminomethyl)-1H-benzimidazol-4-yl]-3-methoxy-1-N-methyl-1-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]benzene-1,2-dicarboxamide Traditional Name: 4-[2-(aminomethyl)-1H-benzimidazol-4-yl]-N-[2-[6-keto-6-(4-methylpiperazino)hexoxy]-4-methyl-phenyl]-3-methoxy-N-methyl-phthalamide Formula: C36H45N7O5 MolecularWeight: 655.7864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C)C(=O)C2=C(C(=C(C=C2)C3=C4C(=CC=C3)NC(=N4)CN)OC)C(=O)N)OCCCCCC(=O)N5CCN(CC5)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C(=O)C2=C(C(=C(C=C2)C3=C4C(=CC=C3)NC(=N4)CN)OC)C(=O)N)OCCCCCC(=O)N5CCN(CC5)C

InChI

InChI=1S/C36H45N7O5/c1-23-12-15-28(29(21-23)48-20-7-5-6-11-31(44)43-18-16-41(2)17-19-43)42(3)36(46)26-14-13-25(34(47-4)32(26)35(38)45)24-9-8-10-27-33(24)40-30(22-37)39-27/h8-10,12-15,21H,5-7,11,16-20,22,37H2,1-4H3,(H2,38,45)(H,39,40)