2-azanyl-4-[[2-(3-azanylpropoxy)phenyl]carbonylamino]-N-[2-[6-[4-(dimethylamino)piperidin-1-yl]-6-oxidanylidene-hexoxy]-4-methyl-phenyl]-N-methyl-benzamide trihydrochloride

Systemtic Name: 2-azanyl-4-[[2-(3-azanylpropoxy)phenyl]carbonylamino]-N-[2-[6-[4-(dimethylamino)piperidin-1-yl]-6-oxidanylidene-hexoxy]-4-methyl-phenyl]-N-methyl-benzamide trihydrochloride Openeye Name: 2-amino-4-[[2-(3-aminopropoxy)benzoyl]amino]-N-[2-[6-[4-(dimethylamino)-1-piperidyl]-6-oxo-hexoxy]-4-methyl-phenyl]-N-methyl-benzamide trihydrochloride CAS Name: 2-amino-4-[[[2-(3-aminopropoxy)phenyl]-oxomethyl]amino]-N-[2-[6-[4-(dimethylamino)-1-piperidinyl]-6-oxohexoxy]-4-methylphenyl]-N-methylbenzamide trihydrochloride IUPAC Name: 2-amino-4-[[2-(3-aminopropoxy)benzoyl]amino]-N-[2-[6-[4-(dimethylamino)piperidin-1-yl]-6-oxohexoxy]-4-methylphenyl]-N-methylbenzamide trihydrochloride Traditional Name: 2-amino-4-[[2-(3-aminopropoxy)benzoyl]amino]-N-[2-[6-[4-(dimethylamino)piperidino]-6-keto-hexoxy]-4-methyl-phenyl]-N-methyl-benzamide trihydrochloride Formula: C38H55Cl3N6O5 MolecularWeight: 782.2395

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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)NC(=O)C3=CC=CC=C3OCCCN)N)OCCCCCC(=O)N4CCC(CC4)N(C)C.Cl.Cl.Cl

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3OCCCN)N)OCCCCCC(=O)N4CCC(CC4)N(C)C.Cl.Cl.Cl

InChI

InChI=1S/C38H52N6O5.3ClH/c1-27-14-17-33(35(25-27)49-23-9-5-6-13-36(45)44-21-18-29(19-22-44)42(2)3)43(4)38(47)30-16-15-28(26-32(30)40)41-37(46)31-11-7-8-12-34(31)48-24-10-20-39;;;/h7-8,11-12,14-17,25-26,29H,5-6,9-10,13,18-24,39-40H2,1-4H3,(H,41,46);3*1H