5-(furan-2-yl)-2-(4-nitrophenyl)-N-(2-oxidanylideneazepan-3-yl)pyrazole-3-carboxamide

Systemtic Name: 5-(furan-2-yl)-2-(4-nitrophenyl)-N-(2-oxidanylideneazepan-3-yl)pyrazole-3-carboxamide Openeye Name: 5-(2-furyl)-2-(4-nitrophenyl)-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide CAS Name: 5-(2-furanyl)-2-(4-nitrophenyl)-N-(2-oxo-3-azepanyl)-3-pyrazolecarboxamide IUPAC Name: 5-(furan-2-yl)-2-(4-nitrophenyl)-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide Traditional Name: 5-(2-furyl)-N-(2-ketoazepan-3-yl)-2-(4-nitrophenyl)pyrazole-3-carboxamide Formula: C20H19N5O5 MolecularWeight: 409.39536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CO4

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)C2=CC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CO4

InChI

InChI=1S/C20H19N5O5/c26-19-15(4-1-2-10-21-19)22-20(27)17-12-16(18-5-3-11-30-18)23-24(17)13-6-8-14(9-7-13)25(28)29/h3,5-9,11-12,15H,1-2,4,10H2,(H,21,26)(H,22,27)