ethyl 4-[3-[(4-fluorophenyl)methyl]-6-(2-methoxyethanoylamino)benzimidazol-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[(4-fluorophenyl)methyl]-6-(2-methoxyethanoylamino)benzimidazol-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(4-fluorophenyl)methyl]-6-[(2-methoxyacetyl)amino]benzimidazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[3-[(4-fluorophenyl)methyl]-6-[(2-methoxy-1-oxoethyl)amino]-4-benzimidazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(4-fluorophenyl)methyl]-6-[(2-methoxyacetyl)amino]benzimidazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[3-(4-fluorobenzyl)-6-[(2-methoxyacetyl)amino]benzimidazole-4-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H28FN5O5 MolecularWeight: 497.518723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC3=C2N(C=N3)CC4=CC=C(C=C4)F)NC(=O)COC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC3=C2N(C=N3)CC4=CC=C(C=C4)F)NC(=O)COC

InChI

InChI=1S/C25H28FN5O5/c1-3-36-25(34)30-10-8-29(9-11-30)24(33)20-12-19(28-22(32)15-35-2)13-21-23(20)31(16-27-21)14-17-4-6-18(26)7-5-17/h4-7,12-13,16H,3,8-11,14-15H2,1-2H3,(H,28,32)