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

Systemtic Name: 4-[[2-(3-azanylpropoxy)phenyl]carbonylamino]-N-methyl-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]-3-phenylmethoxy-benzamide dihydrochloride Openeye Name: 4-[[2-(3-aminopropoxy)benzoyl]amino]-3-benzyloxy-N-methyl-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]benzamide dihydrochloride CAS Name: 4-[[[2-(3-aminopropoxy)phenyl]-oxomethyl]amino]-N-methyl-N-[4-methyl-2-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]phenyl]-3-phenylmethoxybenzamide dihydrochloride IUPAC Name: 4-[[2-(3-aminopropoxy)benzoyl]amino]-N-methyl-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]-3-phenylmethoxybenzamide dihydrochloride Traditional Name: 4-[[2-(3-aminopropoxy)benzoyl]amino]-3-benzoxy-N-[2-[6-keto-6-(4-methylpiperazino)hexoxy]-4-methyl-phenyl]-N-methyl-benzamide dihydrochloride Formula: C43H55Cl2N5O6 MolecularWeight: 808.8327

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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)OCC4=CC=CC=C4)OCCCCCC(=O)N5CCN(CC5)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)OCC4=CC=CC=C4)OCCCCCC(=O)N5CCN(CC5)C.Cl.Cl

InChI

InChI=1S/C43H53N5O6.2ClH/c1-32-18-21-37(40(29-32)53-27-11-5-8-17-41(49)48-25-23-46(2)24-26-48)47(3)43(51)34-19-20-36(39(30-34)54-31-33-13-6-4-7-14-33)45-42(50)35-15-9-10-16-38(35)52-28-12-22-44;;/h4,6-7,9-10,13-16,18-21,29-30H,5,8,11-12,17,22-28,31,44H2,1-3H3,(H,45,50);2*1H