4-[[2-(4-azanylbutoxy)phenyl]carbonylamino]-N-methyl-N-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]-2-phenyl-benzamide

Systemtic Name: 4-[[2-(4-azanylbutoxy)phenyl]carbonylamino]-N-methyl-N-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]-2-phenyl-benzamide Openeye Name: 4-[[2-(4-aminobutoxy)benzoyl]amino]-N-methyl-N-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]-2-phenyl-benzamide CAS Name: 4-[[[2-(4-aminobutoxy)phenyl]-oxomethyl]amino]-N-methyl-N-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]-2-phenylbenzamide IUPAC Name: 4-[[2-(4-aminobutoxy)benzoyl]amino]-N-methyl-N-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]-2-phenylbenzamide Traditional Name: 4-[[2-(4-aminobutoxy)benzoyl]amino]-N-[6-keto-6-(4-methylpiperazino)hexoxy]-N-methyl-2-phenyl-benzamide Formula: C36H47N5O5 MolecularWeight: 629.78888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCCCCON(C)C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3OCCCCN)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C(=O)CCCCCON(C)C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3OCCCCN)C4=CC=CC=C4

InChI

InChI=1S/C36H47N5O5/c1-39-21-23-41(24-22-39)34(42)17-7-4-11-26-46-40(2)36(44)30-19-18-29(27-32(30)28-13-5-3-6-14-28)38-35(43)31-15-8-9-16-33(31)45-25-12-10-20-37/h3,5-6,8-9,13-16,18-19,27H,4,7,10-12,17,20-26,37H2,1-2H3,(H,38,43)