ethyl 4-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]amino]azepane-1-carboxylate

Systemtic Name: ethyl 4-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]amino]azepane-1-carboxylate Openeye Name: ethyl 4-[[1-(p-tolylmethyl)benzimidazol-2-yl]amino]azepane-1-carboxylate CAS Name: 4-[[1-[(4-methylphenyl)methyl]-2-benzimidazolyl]amino]-1-azepanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]amino]azepane-1-carboxylate Traditional Name: 4-[[1-(4-methylbenzyl)benzimidazol-2-yl]amino]azepane-1-carboxylic acid ethyl ester Formula: C24H30N4O2 MolecularWeight: 406.5206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCCC(CC1)NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)N1CCCC(CC1)NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)C

InChI

InChI=1S/C24H30N4O2/c1-3-30-24(29)27-15-6-7-20(14-16-27)25-23-26-21-8-4-5-9-22(21)28(23)17-19-12-10-18(2)11-13-19/h4-5,8-13,20H,3,6-7,14-17H2,1-2H3,(H,25,26)