4-[[[2-(3-azanylpropoxy)phenyl]amino]methyl]-3-methoxy-N-methyl-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]benzamide trihydrochloride

Systemtic Name: 4-[[[2-(3-azanylpropoxy)phenyl]amino]methyl]-3-methoxy-N-methyl-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]benzamide trihydrochloride Openeye Name: 4-[[2-(3-aminopropoxy)anilino]methyl]-3-methoxy-N-methyl-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]benzamide trihydrochloride CAS Name: 4-[[2-(3-aminopropoxy)anilino]methyl]-3-methoxy-N-methyl-N-[4-methyl-2-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]phenyl]benzamide trihydrochloride IUPAC Name: 4-[[2-(3-aminopropoxy)anilino]methyl]-3-methoxy-N-methyl-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]benzamide trihydrochloride Traditional Name: 4-[[2-(3-aminopropoxy)anilino]methyl]-N-[2-[6-keto-6-(4-methylpiperazino)hexoxy]-4-methyl-phenyl]-3-methoxy-N-methyl-benzamide trihydrochloride Formula: C37H54Cl3N5O5 MolecularWeight: 755.21416

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)CNC3=CC=CC=C3OCCCN)OC)OCCCCCC(=O)N4CCN(CC4)C.Cl.Cl.Cl

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)CNC3=CC=CC=C3OCCCN)OC)OCCCCCC(=O)N4CCN(CC4)C.Cl.Cl.Cl

InChI

InChI=1S/C37H51N5O5.3ClH/c1-28-14-17-32(35(25-28)47-23-9-5-6-13-36(43)42-21-19-40(2)20-22-42)41(3)37(44)29-15-16-30(34(26-29)45-4)27-39-31-11-7-8-12-33(31)46-24-10-18-38;;;/h7-8,11-12,14-17,25-26,39H,5-6,9-10,13,18-24,27,38H2,1-4H3;3*1H