N-methyl-4-[1-methyl-2-[[4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]amino]benzimidazol-5-yl]oxy-pyridine-2-carboxamide

Systemtic Name: N-methyl-4-[1-methyl-2-[[4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]amino]benzimidazol-5-yl]oxy-pyridine-2-carboxamide Openeye Name: N-methyl-4-[1-methyl-2-[4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]anilino]benzimidazol-5-yl]oxy-pyridine-2-carboxamide CAS Name: N-methyl-4-[[1-methyl-2-[4-[[3-(4-methyl-1-piperazinyl)propylamino]-oxomethyl]anilino]-5-benzimidazolyl]oxy]-2-pyridinecarboxamide IUPAC Name: N-methyl-4-[1-methyl-2-[4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide Traditional Name: N-methyl-4-[1-methyl-2-[4-[3-(4-methylpiperazino)propylcarbamoyl]anilino]benzimidazol-5-yl]oxy-picolinamide Formula: C30H36N8O3 MolecularWeight: 556.65864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NC=CC(=C1)OC2=CC3=C(C=C2)N(C(=N3)NC4=CC=C(C=C4)C(=O)NCCCN5CCN(CC5)C)C

Isomeric SMILES

CNC(=O)C1=NC=CC(=C1)OC2=CC3=C(C=C2)N(C(=N3)NC4=CC=C(C=C4)C(=O)NCCCN5CCN(CC5)C)C

InChI

InChI=1S/C30H36N8O3/c1-31-29(40)26-20-24(11-13-32-26)41-23-9-10-27-25(19-23)35-30(37(27)3)34-22-7-5-21(6-8-22)28(39)33-12-4-14-38-17-15-36(2)16-18-38/h5-11,13,19-20H,4,12,14-18H2,1-3H3,(H,31,40)(H,33,39)(H,34,35)