2-(1,4-diazepan-1-yl)ethyl carbamate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-(1,4-diazepan-1-yl)ethyl carbamate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-(1,4-diazepan-1-yl)ethyl carbamate; 2,2,2-trifluoroacetic acid CAS Name: carbamic acid 2-(1,4-diazepan-1-yl)ethyl ester; 2,2,2-trifluoroacetic acid IUPAC Name: 2-(1,4-diazepan-1-yl)ethyl carbamate; 2,2,2-trifluoroacetic acid Traditional Name: carbamic acid 2-(1,4-diazepan-1-yl)ethyl ester; 2,2,2-trifluoroacetic acid Formula: C12H19F6N3O6 MolecularWeight: 415.286179

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)CCOC(=O)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CNCCN(C1)CCOC(=O)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C8H17N3O2.2C2HF3O2/c9-8(12)13-7-6-11-4-1-2-10-3-5-11;2*3-2(4,5)1(6)7/h10H,1-7H2,(H2,9,12);2*(H,6,7)