N-(3-nitrophenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(3-nitrophenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(3-nitrophenyl)-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carboxamide CAS Name: N-(3-nitrophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(3-nitrophenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-(3-nitrophenyl)-4-[5-(trifluoromethyl)-2-pyridyl]-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=C2)[N+](=O)[O-])C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=NC=C(C=C3)C(F)(F)F

InChI

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