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

Systemtic Name: 2-(3-azanylpropoxy)-N-[4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]carbamoyl]phenyl]benzamide dihydrochloride Openeye Name: 2-(3-aminopropoxy)-N-[4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]carbamoyl]phenyl]benzamide dihydrochloride CAS Name: 2-(3-aminopropoxy)-N-[4-[[N,4-dimethyl-2-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]anilino]-oxomethyl]phenyl]benzamide dihydrochloride IUPAC Name: 2-(3-aminopropoxy)-N-[4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]carbamoyl]phenyl]benzamide dihydrochloride Traditional Name: 2-(3-aminopropoxy)-N-[4-[[2-[6-keto-6-(4-methylpiperazino)hexoxy]-4-methyl-phenyl]-methyl-carbamoyl]phenyl]benzamide dihydrochloride Formula: C36H49Cl2N5O5 MolecularWeight: 702.71076

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)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=CC=CC=C3OCCCN)OCCCCCC(=O)N4CCN(CC4)C.Cl.Cl

InChI

InChI=1S/C36H47N5O5.2ClH/c1-27-13-18-31(33(26-27)46-24-8-4-5-12-34(42)41-22-20-39(2)21-23-41)40(3)36(44)28-14-16-29(17-15-28)38-35(43)30-10-6-7-11-32(30)45-25-9-19-37;;/h6-7,10-11,13-18,26H,4-5,8-9,12,19-25,37H2,1-3H3,(H,38,43);2*1H