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

Systemtic Name: ethyl 4-[[1-[bis(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]azepane-1-carboxylate Openeye Name: ethyl 4-[[1-[bis(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]azepane-1-carboxylate CAS Name: 4-[[1-[bis(4-fluorophenyl)methyl]-2-benzimidazolyl]amino]-1-azepanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-[bis(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]azepane-1-carboxylate Traditional Name: 4-[[1-[bis(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]azepane-1-carboxylic acid ethyl ester Formula: C29H30F2N4O2 MolecularWeight: 504.570906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCCC(CC1)NC2=NC3=CC=CC=C3N2C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

CCOC(=O)N1CCCC(CC1)NC2=NC3=CC=CC=C3N2C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C29H30F2N4O2/c1-2-37-29(36)34-18-5-6-24(17-19-34)32-28-33-25-7-3-4-8-26(25)35(28)27(20-9-13-22(30)14-10-20)21-11-15-23(31)16-12-21/h3-4,7-16,24,27H,2,5-6,17-19H2,1H3,(H,32,33)