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4-(3-nitropyridin-2-yl)-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide

4-(3-nitropyridin-2-yl)-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide

Systemtic Name:4-(3-nitropyridin-2-yl)-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Openeye Name:4-(3-nitro-2-pyridyl)-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
CAS Name:4-(3-nitro-2-pyridinyl)-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
IUPAC Name:4-(3-nitropyridin-2-yl)-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Traditional Name:4-(3-nitro-2-pyridyl)-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Formula: C18H18F3N5O3
MolecularWeight: 409.36243
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2C(F)(F)F)C3=C(C=CC=N3)[N+](=O)[O-]


Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2C(F)(F)F)C3=C(C=CC=N3)[N+](=O)[O-]


InChI

InChI=1S/C18H18F3N5O3/c19-18(20,21)13-5-1-2-6-14(13)23-17(27)25-10-4-9-24(11-12-25)16-15(26(28)29)7-3-8-22-16/h1-3,5-8H,4,9-12H2,(H,23,27)


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