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

Systemtic Name: 4-[[2-(3-azanylpropoxy)phenyl]carbonylamino]-N-[2-[6-[4-(dimethylamino)piperidin-1-yl]-6-oxidanylidene-hexoxy]-4-methyl-phenyl]-3-methoxy-N-methyl-benzamide dihydrochloride Openeye Name: 4-[[2-(3-aminopropoxy)benzoyl]amino]-N-[2-[6-[4-(dimethylamino)-1-piperidyl]-6-oxo-hexoxy]-4-methyl-phenyl]-3-methoxy-N-methyl-benzamide dihydrochloride CAS Name: 4-[[[2-(3-aminopropoxy)phenyl]-oxomethyl]amino]-N-[2-[6-[4-(dimethylamino)-1-piperidinyl]-6-oxohexoxy]-4-methylphenyl]-3-methoxy-N-methylbenzamide dihydrochloride IUPAC Name: 4-[[2-(3-aminopropoxy)benzoyl]amino]-N-[2-[6-[4-(dimethylamino)piperidin-1-yl]-6-oxohexoxy]-4-methylphenyl]-3-methoxy-N-methylbenzamide dihydrochloride Traditional Name: 4-[[2-(3-aminopropoxy)benzoyl]amino]-N-[2-[6-[4-(dimethylamino)piperidino]-6-keto-hexoxy]-4-methyl-phenyl]-3-methoxy-N-methyl-benzamide dihydrochloride Formula: C39H55Cl2N5O6 MolecularWeight: 760.7899

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

Isomeric SMILES

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

InChI

InChI=1S/C39H53N5O6.2ClH/c1-28-15-18-33(36(26-28)50-24-10-6-7-14-37(45)44-22-19-30(20-23-44)42(2)3)43(4)39(47)29-16-17-32(35(27-29)48-5)41-38(46)31-12-8-9-13-34(31)49-25-11-21-40;;/h8-9,12-13,15-18,26-27,30H,6-7,10-11,14,19-25,40H2,1-5H3,(H,41,46);2*1H