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

Systemtic Name: 2-(3-nitrophenyl)-N-(2-oxidanylideneazepan-3-yl)-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: 2-(3-nitrophenyl)-N-(2-oxoazepan-3-yl)-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: 2-(3-nitrophenyl)-N-(2-oxo-3-azepanyl)-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: 2-(3-nitrophenyl)-N-(2-oxoazepan-3-yl)-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: N-(2-ketoazepan-3-yl)-2-(3-nitrophenyl)-5-(2-thienyl)pyrazole-3-carboxamide Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C20H19N5O4S/c26-19-15(7-1-2-9-21-19)22-20(27)17-12-16(18-8-4-10-30-18)23-24(17)13-5-3-6-14(11-13)25(28)29/h3-6,8,10-12,15H,1-2,7,9H2,(H,21,26)(H,22,27)