2-[4-[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]carbonylpiperazin-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]carbonylpiperazin-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[3-nitro-4-(1,2,4-triazol-1-yl)benzoyl]piperazin-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]-oxomethyl]-1-piperazinyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[3-nitro-4-(1,2,4-triazol-1-yl)benzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[3-nitro-4-(1,2,4-triazol-1-yl)benzoyl]piperazino]-1-piperidino-ethanone Formula: C20H25N7O4 MolecularWeight: 427.457

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

InChI

InChI=1S/C20H25N7O4/c28-19(24-6-2-1-3-7-24)13-23-8-10-25(11-9-23)20(29)16-4-5-17(18(12-16)27(30)31)26-15-21-14-22-26/h4-5,12,14-15H,1-3,6-11,13H2