ethyl 4-[[4-(2H-benzotriazol-5-ylcarbonylamino)piperidin-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-(2H-benzotriazol-5-ylcarbonylamino)piperidin-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-(2H-benzotriazole-5-carbonylamino)piperidine-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[4-[[2H-benzotriazol-5-yl(oxo)methyl]amino]-4-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2H-benzotriazole-5-carbonylamino)piperidine-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-(2H-benzotriazole-5-carbonylamino)isonipecotoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H29N7O4 MolecularWeight: 443.49946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)C3=CC4=NNN=C4C=C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)C3=CC4=NNN=C4C=C3

InChI

InChI=1S/C21H29N7O4/c1-2-32-20(31)28-11-5-15(6-12-28)23-19(30)21(7-9-22-10-8-21)24-18(29)14-3-4-16-17(13-14)26-27-25-16/h3-4,13,15,22H,2,5-12H2,1H3,(H,23,30)(H,24,29)(H,25,26,27)