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

Systemtic Name: 4-[2-[(4-bromanyl-3-methyl-phenyl)amino]-1-methyl-benzimidazol-5-yl]oxy-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide Openeye Name: 4-[2-(4-bromo-3-methyl-anilino)-1-methyl-benzimidazol-5-yl]oxy-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide CAS Name: 4-[[2-(4-bromo-3-methylanilino)-1-methyl-5-benzimidazolyl]oxy]-N-[3-(4-methyl-1-piperazinyl)propyl]-2-pyridinecarboxamide IUPAC Name: 4-[2-(4-bromo-3-methylanilino)-1-methylbenzimidazol-5-yl]oxy-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide Traditional Name: 4-[2-(4-bromo-3-methyl-anilino)-1-methyl-benzimidazol-5-yl]oxy-N-[3-(4-methylpiperazino)propyl]picolinamide Formula: C29H34BrN7O2 MolecularWeight: 592.52996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC3=C(N2C)C=CC(=C3)OC4=CC(=NC=C4)C(=O)NCCCN5CCN(CC5)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC3=C(N2C)C=CC(=C3)OC4=CC(=NC=C4)C(=O)NCCCN5CCN(CC5)C)Br

InChI

InChI=1S/C29H34BrN7O2/c1-20-17-21(5-7-24(20)30)33-29-34-25-18-22(6-8-27(25)36(29)3)39-23-9-11-31-26(19-23)28(38)32-10-4-12-37-15-13-35(2)14-16-37/h5-9,11,17-19H,4,10,12-16H2,1-3H3,(H,32,38)(H,33,34)