N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-nitro-4-piperidino-benzamide Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O4/c1-31-16-8-5-14(6-9-16)19-22-21(25-24-19)23-20(28)15-7-10-17(18(13-15)27(29)30)26-11-3-2-4-12-26/h5-10,13H,2-4,11-12H2,1H3,(H2,22,23,24,25,28)