2-methoxy-N4-methyl-N4-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]-N1-(2-pyridin-3-yl-1H-benzimidazol-4-yl)benzene-1,4-dicarboxamide

Systemtic Name: 2-methoxy-N4-methyl-N4-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]-N1-(2-pyridin-3-yl-1H-benzimidazol-4-yl)benzene-1,4-dicarboxamide Openeye Name: 2-methoxy-N4-methyl-N4-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]-N1-[2-(3-pyridyl)-1H-benzimidazol-4-yl]terephthalamide CAS Name: 2-methoxy-N4-methyl-N4-[4-methyl-2-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]phenyl]-N1-[2-(3-pyridinyl)-1H-benzimidazol-4-yl]benzene-1,4-dicarboxamide IUPAC Name: 2-methoxy-4-N-methyl-4-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]-1-N-(2-pyridin-3-yl-1H-benzimidazol-4-yl)benzene-1,4-dicarboxamide Traditional Name: N'-[2-[6-keto-6-(4-methylpiperazino)hexoxy]-4-methyl-phenyl]-2-methoxy-N'-methyl-N-[2-(3-pyridyl)-1H-benzimidazol-4-yl]terephthalamide Formula: C40H45N7O5 MolecularWeight: 703.8292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)C(=O)NC3=CC=CC4=C3N=C(N4)C5=CN=CC=C5)OC)OCCCCCC(=O)N6CCN(CC6)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)C(=O)NC3=CC=CC4=C3N=C(N4)C5=CN=CC=C5)OC)OCCCCCC(=O)N6CCN(CC6)C

InChI

InChI=1S/C40H45N7O5/c1-27-14-17-33(35(24-27)52-23-7-5-6-13-36(48)47-21-19-45(2)20-22-47)46(3)40(50)28-15-16-30(34(25-28)51-4)39(49)43-32-12-8-11-31-37(32)44-38(42-31)29-10-9-18-41-26-29/h8-12,14-18,24-26H,5-7,13,19-23H2,1-4H3,(H,42,44)(H,43,49)