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4-(5-nitropyridin-2-yl)-N-phenyl-1,4-diazepane-1-carboxamide

4-(5-nitropyridin-2-yl)-N-phenyl-1,4-diazepane-1-carboxamide

Systemtic Name:4-(5-nitropyridin-2-yl)-N-phenyl-1,4-diazepane-1-carboxamide
Openeye Name:4-(5-nitro-2-pyridyl)-N-phenyl-1,4-diazepane-1-carboxamide
CAS Name:4-(5-nitro-2-pyridinyl)-N-phenyl-1,4-diazepane-1-carboxamide
IUPAC Name:4-(5-nitropyridin-2-yl)-N-phenyl-1,4-diazepane-1-carboxamide
Traditional Name:4-(5-nitro-2-pyridyl)-N-phenyl-1,4-diazepane-1-carboxamide
Formula: C17H19N5O3
MolecularWeight: 341.36446
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H19N5O3/c23-17(19-14-5-2-1-3-6-14)21-10-4-9-20(11-12-21)16-8-7-15(13-18-16)22(24)25/h1-3,5-8,13H,4,9-12H2,(H,19,23)


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