ethyl 4-[[5-[(4-fluorophenyl)carbonylamino]-1-propan-2-yl-benzimidazol-2-yl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[5-[(4-fluorophenyl)carbonylamino]-1-propan-2-yl-benzimidazol-2-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[5-[(4-fluorobenzoyl)amino]-1-isopropyl-benzimidazol-2-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[5-[[(4-fluorophenyl)-oxomethyl]amino]-1-propan-2-yl-2-benzimidazolyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-[(4-fluorobenzoyl)amino]-1-propan-2-ylbenzimidazol-2-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[5-[(4-fluorobenzoyl)amino]-1-isopropyl-benzimidazol-2-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H30FN5O3 MolecularWeight: 467.535803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2C(C)C)C=CC(=C3)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2C(C)C)C=CC(=C3)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H30FN5O3/c1-4-34-25(33)30-13-11-29(12-14-30)16-23-28-21-15-20(9-10-22(21)31(23)17(2)3)27-24(32)18-5-7-19(26)8-6-18/h5-10,15,17H,4,11-14,16H2,1-3H3,(H,27,32)