methyl 6-(4-methylpiperazin-1-yl)-2-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1,3-dihydrobenzimidazol-5-yl]-1H-benzimidazole-4-carboxylate

Systemtic Name: methyl 6-(4-methylpiperazin-1-yl)-2-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1,3-dihydrobenzimidazol-5-yl]-1H-benzimidazole-4-carboxylate Openeye Name: methyl 6-(4-methylpiperazin-1-yl)-2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,3-dihydrobenzimidazol-5-yl]-1H-benzimidazole-4-carboxylate CAS Name: 6-(4-methyl-1-piperazinyl)-2-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)-1,3-dihydrobenzimidazol-5-yl]-1H-benzimidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 6-(4-methylpiperazin-1-yl)-2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,3-dihydrobenzimidazol-5-yl]-1H-benzimidazole-4-carboxylate Traditional Name: 2-[2-(4-ketocyclohexa-2,5-dien-1-ylidene)-1,3-dihydrobenzimidazol-5-yl]-6-(4-methylpiperazino)-1H-benzimidazole-4-carboxylic acid methyl ester Formula: C27H26N6O3 MolecularWeight: 482.53374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC3=C(C(=C2)C(=O)OC)N=C(N3)C4=CC5=C(C=C4)NC(=C6C=CC(=O)C=C6)N5

Isomeric SMILES

CN1CCN(CC1)C2=CC3=C(C(=C2)C(=O)OC)N=C(N3)C4=CC5=C(C=C4)NC(=C6C=CC(=O)C=C6)N5

InChI

InChI=1S/C27H26N6O3/c1-32-9-11-33(12-10-32)18-14-20(27(35)36-2)24-23(15-18)30-26(31-24)17-5-8-21-22(13-17)29-25(28-21)16-3-6-19(34)7-4-16/h3-8,13-15,28-29H,9-12H2,1-2H3,(H,30,31)