[5-(3-tert-butylpyrrolidin-1-yl)carbonyl-1H-1,2,4-triazol-3-yl]-pyrrolidin-1-yl-carbamic acid

Systemtic Name: [5-(3-tert-butylpyrrolidin-1-yl)carbonyl-1H-1,2,4-triazol-3-yl]-pyrrolidin-1-yl-carbamic acid Openeye Name: [5-(3-tert-butylpyrrolidine-1-carbonyl)-1H-1,2,4-triazol-3-yl]-pyrrolidin-1-yl-carbamic acid CAS Name: [5-[(3-tert-butyl-1-pyrrolidinyl)-oxomethyl]-1H-1,2,4-triazol-3-yl]-(1-pyrrolidinyl)carbamic acid IUPAC Name: [5-(3-tert-butylpyrrolidine-1-carbonyl)-1H-1,2,4-triazol-3-yl]-pyrrolidin-1-ylcarbamic acid Traditional Name: [5-(3-tert-butylpyrrolidine-1-carbonyl)-1H-1,2,4-triazol-3-yl]-pyrrolidino-carbamic acid Formula: C16H26N6O3 MolecularWeight: 350.41604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCN(C1)C(=O)C2=NC(=NN2)N(C(=O)O)N3CCCC3

Isomeric SMILES

CC(C)(C)C1CCN(C1)C(=O)C2=NC(=NN2)N(C(=O)O)N3CCCC3

InChI

InChI=1S/C16H26N6O3/c1-16(2,3)11-6-9-20(10-11)13(23)12-17-14(19-18-12)22(15(24)25)21-7-4-5-8-21/h11H,4-10H2,1-3H3,(H,24,25)(H,17,18,19)