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

Systemtic Name: 4-[[2-(3-azanylpropoxy)phenyl]carbonylamino]-3-chloranyl-N-[2-[6-[4-(dimethylamino)piperidin-1-yl]-6-oxidanylidene-hexoxy]-4-methyl-phenyl]-N-methyl-benzamide dihydrochloride Openeye Name: 4-[[2-(3-aminopropoxy)benzoyl]amino]-3-chloro-N-[2-[6-[4-(dimethylamino)-1-piperidyl]-6-oxo-hexoxy]-4-methyl-phenyl]-N-methyl-benzamide dihydrochloride CAS Name: 4-[[[2-(3-aminopropoxy)phenyl]-oxomethyl]amino]-3-chloro-N-[2-[6-[4-(dimethylamino)-1-piperidinyl]-6-oxohexoxy]-4-methylphenyl]-N-methylbenzamide dihydrochloride IUPAC Name: 4-[[2-(3-aminopropoxy)benzoyl]amino]-3-chloro-N-[2-[6-[4-(dimethylamino)piperidin-1-yl]-6-oxohexoxy]-4-methylphenyl]-N-methylbenzamide dihydrochloride Traditional Name: 4-[[2-(3-aminopropoxy)benzoyl]amino]-3-chloro-N-[2-[6-[4-(dimethylamino)piperidino]-6-keto-hexoxy]-4-methyl-phenyl]-N-methyl-benzamide dihydrochloride Formula: C38H52Cl3N5O5 MolecularWeight: 765.20898

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

InChI

InChI=1S/C38H50ClN5O5.2ClH/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)28-15-16-32(31(39)26-28)41-37(46)30-11-7-8-12-34(30)48-24-10-20-40;;/h7-8,11-12,14-17,25-26,29H,5-6,9-10,13,18-24,40H2,1-4H3,(H,41,46);2*1H