methyl 3-[3,6-bis[3-(4-methylpiperazin-1-yl)propylamino]-1,2-dihydrobenzimidazol-2-yl]-2H-indazole-5-carboxylate

Systemtic Name: methyl 3-[3,6-bis[3-(4-methylpiperazin-1-yl)propylamino]-1,2-dihydrobenzimidazol-2-yl]-2H-indazole-5-carboxylate Openeye Name: methyl 3-[3,6-bis[3-(4-methylpiperazin-1-yl)propylamino]-1,2-dihydrobenzimidazol-2-yl]-2H-indazole-5-carboxylate CAS Name: 3-[3,6-bis[3-(4-methyl-1-piperazinyl)propylamino]-1,2-dihydrobenzimidazol-2-yl]-2H-indazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[3,6-bis[3-(4-methylpiperazin-1-yl)propylamino]-1,2-dihydrobenzimidazol-2-yl]-2H-indazole-5-carboxylate Traditional Name: 3-[3,6-bis[3-(4-methylpiperazino)propylamino]-1,2-dihydrobenzimidazol-2-yl]-2H-indazole-5-carboxylic acid methyl ester Formula: C32H48N10O2 MolecularWeight: 604.78932

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC2=CC3=C(C=C2)N(C(N3)C4=C5C=C(C=CC5=NN4)C(=O)OC)NCCCN6CCN(CC6)C

Isomeric SMILES

CN1CCN(CC1)CCCNC2=CC3=C(C=C2)N(C(N3)C4=C5C=C(C=CC5=NN4)C(=O)OC)NCCCN6CCN(CC6)C

InChI

InChI=1S/C32H48N10O2/c1-38-14-18-40(19-15-38)12-4-10-33-25-7-9-29-28(23-25)35-31(42(29)34-11-5-13-41-20-16-39(2)17-21-41)30-26-22-24(32(43)44-3)6-8-27(26)36-37-30/h6-9,22-23,31,33-35H,4-5,10-21H2,1-3H3,(H,36,37)