ethyl 7-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-phenyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 7-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-phenyl-benzimidazole-5-carboxylate Openeye Name: ethyl 7-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-phenyl-benzimidazole-5-carboxylate CAS Name: 7-[3-[(4-methyl-1-piperazinyl)methyl]phenyl]-1-phenyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 7-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-phenylbenzimidazole-5-carboxylate Traditional Name: 7-[3-[(4-methylpiperazino)methyl]phenyl]-1-phenyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C28H30N4O2 MolecularWeight: 454.5634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=C1)C3=CC(=CC=C3)CN4CCN(CC4)C)N(C=N2)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=C1)C3=CC(=CC=C3)CN4CCN(CC4)C)N(C=N2)C5=CC=CC=C5

InChI

InChI=1S/C28H30N4O2/c1-3-34-28(33)23-17-25(27-26(18-23)29-20-32(27)24-10-5-4-6-11-24)22-9-7-8-21(16-22)19-31-14-12-30(2)13-15-31/h4-11,16-18,20H,3,12-15,19H2,1-2H3