N-[2-(furan-2-yl)-2-piperidin-1-yl-ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[2-(furan-2-yl)-2-piperidin-1-yl-ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[2-(2-furyl)-2-(1-piperidyl)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[2-(2-furanyl)-2-(1-piperidinyl)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[2-(2-furyl)-2-piperidino-ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C20H22N6O4 MolecularWeight: 410.42648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(CNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])C4=CC=CO4

Isomeric SMILES

C1CCN(CC1)C(CNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])C4=CC=CO4

InChI

InChI=1S/C20H22N6O4/c27-20(15-6-7-16(17(11-15)26(28)29)25-14-21-13-23-25)22-12-18(19-5-4-10-30-19)24-8-2-1-3-9-24/h4-7,10-11,13-14,18H,1-3,8-9,12H2,(H,22,27)