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

Systemtic Name: 2-(3-azanylpropoxy)-N-[2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]carbamoyl]phenyl]-3-methyl-benzamide dihydrochloride Openeye Name: 2-(3-aminopropoxy)-N-[2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]carbamoyl]phenyl]-3-methyl-benzamide dihydrochloride CAS Name: 2-(3-aminopropoxy)-N-[4-[[N,4-dimethyl-2-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]anilino]-oxomethyl]-2-methoxyphenyl]-3-methylbenzamide dihydrochloride IUPAC Name: 2-(3-aminopropoxy)-N-[2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]carbamoyl]phenyl]-3-methylbenzamide dihydrochloride Traditional Name: 2-(3-aminopropoxy)-N-[4-[[2-[6-keto-6-(4-methylpiperazino)hexoxy]-4-methyl-phenyl]-methyl-carbamoyl]-2-methoxy-phenyl]-3-methyl-benzamide dihydrochloride Formula: C38H53Cl2N5O6 MolecularWeight: 746.76332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)NC(=O)C3=C(C(=CC=C3)C)OCCCN)OC)OCCCCCC(=O)N4CCN(CC4)C.Cl.Cl

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)NC(=O)C3=C(C(=CC=C3)C)OCCCN)OC)OCCCCCC(=O)N4CCN(CC4)C.Cl.Cl

InChI

InChI=1S/C38H51N5O6.2ClH/c1-27-14-17-32(34(25-27)48-23-8-6-7-13-35(44)43-21-19-41(3)20-22-43)42(4)38(46)29-15-16-31(33(26-29)47-5)40-37(45)30-12-9-11-28(2)36(30)49-24-10-18-39;;/h9,11-12,14-17,25-26H,6-8,10,13,18-24,39H2,1-5H3,(H,40,45);2*1H