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

Systemtic Name: ethyl 4-[[5-[(2-nitrophenyl)carbonylamino]-1-propan-2-yl-benzimidazol-2-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[1-isopropyl-5-[(2-nitrobenzoyl)amino]benzimidazol-2-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[5-[[(2-nitrophenyl)-oxomethyl]amino]-1-propan-2-yl-2-benzimidazolyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-[(2-nitrobenzoyl)amino]-1-propan-2-ylbenzimidazol-2-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[1-isopropyl-5-[(2-nitrobenzoyl)amino]benzimidazol-2-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H30N6O5 MolecularWeight: 494.5429

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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=C4[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2C(C)C)C=CC(=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C25H30N6O5/c1-4-36-25(33)29-13-11-28(12-14-29)16-23-27-20-15-18(9-10-22(20)30(23)17(2)3)26-24(32)19-7-5-6-8-21(19)31(34)35/h5-10,15,17H,4,11-14,16H2,1-3H3,(H,26,32)