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

Systemtic Name: N-[2-(furan-2-yl)-2-piperidin-1-yl-ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(2-furyl)-2-(1-piperidyl)ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-(2-furanyl)-2-(1-piperidinyl)ethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(2-furyl)-2-piperidino-ethyl]-3-nitro-4-pyrrolidino-benzamide Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(CNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C4=CC=CO4

Isomeric SMILES

C1CCN(CC1)C(CNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C4=CC=CO4

InChI

InChI=1S/C22H28N4O4/c27-22(17-8-9-18(19(15-17)26(28)29)24-12-4-5-13-24)23-16-20(21-7-6-14-30-21)25-10-2-1-3-11-25/h6-9,14-15,20H,1-5,10-13,16H2,(H,23,27)