3-methoxy-N-methyl-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]-4-[(2-piperidin-4-yloxyphenyl)carbonylamino]benzamide

Systemtic Name: 3-methoxy-N-methyl-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]-4-[(2-piperidin-4-yloxyphenyl)carbonylamino]benzamide Openeye Name: 3-methoxy-N-methyl-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]-4-[[2-(4-piperidyloxy)benzoyl]amino]benzamide CAS Name: 3-methoxy-N-methyl-N-[4-methyl-2-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]phenyl]-4-[[oxo-[2-(4-piperidinyloxy)phenyl]methyl]amino]benzamide IUPAC Name: 3-methoxy-N-methyl-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]-4-[(2-piperidin-4-yloxybenzoyl)amino]benzamide Traditional Name: N-[2-[6-keto-6-(4-methylpiperazino)hexoxy]-4-methyl-phenyl]-3-methoxy-N-methyl-4-[[2-(4-piperidyloxy)benzoyl]amino]benzamide Formula: C39H51N5O6 MolecularWeight: 685.85214

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)NC(=O)C3=CC=CC=C3OC4CCNCC4)OC)OCCCCCC(=O)N5CCN(CC5)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3OC4CCNCC4)OC)OCCCCCC(=O)N5CCN(CC5)C

InChI

InChI=1S/C39H51N5O6/c1-28-13-16-33(36(26-28)49-25-9-5-6-12-37(45)44-23-21-42(2)22-24-44)43(3)39(47)29-14-15-32(35(27-29)48-4)41-38(46)31-10-7-8-11-34(31)50-30-17-19-40-20-18-30/h7-8,10-11,13-16,26-27,30,40H,5-6,9,12,17-25H2,1-4H3,(H,41,46)