1-[3-(4-ethyl-1,4-diazepan-1-yl)phenyl]-2-methyl-benzimidazole-5-carboxylate

Systemtic Name: 1-[3-(4-ethyl-1,4-diazepan-1-yl)phenyl]-2-methyl-benzimidazole-5-carboxylate Openeye Name: 1-[3-(4-ethyl-1,4-diazepan-1-yl)phenyl]-2-methyl-benzimidazole-5-carboxylate CAS Name: 1-[3-(4-ethyl-1,4-diazepan-1-yl)phenyl]-2-methyl-5-benzimidazolecarboxylate IUPAC Name: 1-[3-(4-ethyl-1,4-diazepan-1-yl)phenyl]-2-methylbenzimidazole-5-carboxylate Traditional Name: 1-[3-(4-ethyl-1,4-diazepan-1-yl)phenyl]-2-methyl-benzimidazole-5-carboxylate Formula: C22H25N4O2- MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCN(CC1)C2=CC=CC(=C2)N3C(=NC4=C3C=CC(=C4)C(=O)[O-])C

Isomeric SMILES

CCN1CCCN(CC1)C2=CC=CC(=C2)N3C(=NC4=C3C=CC(=C4)C(=O)[O-])C

InChI

InChI=1S/C22H26N4O2/c1-3-24-10-5-11-25(13-12-24)18-6-4-7-19(15-18)26-16(2)23-20-14-17(22(27)28)8-9-21(20)26/h4,6-9,14-15H,3,5,10-13H2,1-2H3,(H,27,28)/p-1