N-(2-chloroethyl)-N-ethyl-4-[2-(2-ethyl-3H-benzimidazol-5-yl)-6-(4-methylpiperazin-1-yl)benzimidazol-1-yl]aniline

Systemtic Name: N-(2-chloroethyl)-N-ethyl-4-[2-(2-ethyl-3H-benzimidazol-5-yl)-6-(4-methylpiperazin-1-yl)benzimidazol-1-yl]aniline Openeye Name: N-(2-chloroethyl)-N-ethyl-4-[2-(2-ethyl-3H-benzimidazol-5-yl)-6-(4-methylpiperazin-1-yl)benzimidazol-1-yl]aniline CAS Name: N-(2-chloroethyl)-N-ethyl-4-[2-(2-ethyl-3H-benzimidazol-5-yl)-6-(4-methyl-1-piperazinyl)-1-benzimidazolyl]aniline IUPAC Name: N-(2-chloroethyl)-N-ethyl-4-[2-(2-ethyl-3H-benzimidazol-5-yl)-6-(4-methylpiperazin-1-yl)benzimidazol-1-yl]aniline Traditional Name: 2-chloroethyl-ethyl-[4-[2-(2-ethyl-3H-benzimidazol-5-yl)-6-(4-methylpiperazino)benzimidazol-1-yl]phenyl]amine Formula: C31H36ClN7 MolecularWeight: 542.11744

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1)C=C(C=C2)C3=NC4=C(N3C5=CC=C(C=C5)N(CC)CCCl)C=C(C=C4)N6CCN(CC6)C

Isomeric SMILES

CCC1=NC2=C(N1)C=C(C=C2)C3=NC4=C(N3C5=CC=C(C=C5)N(CC)CCCl)C=C(C=C4)N6CCN(CC6)C

InChI

InChI=1S/C31H36ClN7/c1-4-30-33-26-12-6-22(20-28(26)34-30)31-35-27-13-11-25(38-18-16-36(3)17-19-38)21-29(27)39(31)24-9-7-23(8-10-24)37(5-2)15-14-32/h6-13,20-21H,4-5,14-19H2,1-3H3,(H,33,34)