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

Systemtic Name: ethyl 4-[[5-[(2-chlorophenyl)carbonylamino]-1-propan-2-yl-benzimidazol-2-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[5-[(2-chlorobenzoyl)amino]-1-isopropyl-benzimidazol-2-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[5-[[(2-chlorophenyl)-oxomethyl]amino]-1-propan-2-yl-2-benzimidazolyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-[(2-chlorobenzoyl)amino]-1-propan-2-ylbenzimidazol-2-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[5-[(2-chlorobenzoyl)amino]-1-isopropyl-benzimidazol-2-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H30ClN5O3 MolecularWeight: 483.9904

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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=CC=C4Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2C(C)C)C=CC(=C3)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C25H30ClN5O3/c1-4-34-25(33)30-13-11-29(12-14-30)16-23-28-21-15-18(9-10-22(21)31(23)17(2)3)27-24(32)19-7-5-6-8-20(19)26/h5-10,15,17H,4,11-14,16H2,1-3H3,(H,27,32)