3-nitro-N-[4-[(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)carbonyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-nitro-N-[4-[(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)carbonyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide Openeye Name: 3-nitro-N-[4-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]-4-piperidyl]-1H-pyrazole-5-carboxamide CAS Name: 3-nitro-N-[4-[oxo-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-4-piperidinyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-nitro-N-[4-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide Traditional Name: 3-nitro-N-[4-[4-(2-thenoyl)-1,4-diazepane-1-carbonyl]-4-piperidyl]-1H-pyrazole-5-carboxamide Formula: C20H25N7O5S MolecularWeight: 475.5214

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2(CCNCC2)NC(=O)C3=CC(=NN3)[N+](=O)[O-])C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2(CCNCC2)NC(=O)C3=CC(=NN3)[N+](=O)[O-])C(=O)C4=CC=CS4

InChI

InChI=1S/C20H25N7O5S/c28-17(14-13-16(24-23-14)27(31)32)22-20(4-6-21-7-5-20)19(30)26-9-2-8-25(10-11-26)18(29)15-3-1-12-33-15/h1,3,12-13,21H,2,4-11H2,(H,22,28)(H,23,24)