N-(3-cyanophenyl)-4-[4-(furan-3-ylcarbonyl)piperazin-1-yl]-3-nitro-benzamide

Systemtic Name: N-(3-cyanophenyl)-4-[4-(furan-3-ylcarbonyl)piperazin-1-yl]-3-nitro-benzamide Openeye Name: N-(3-cyanophenyl)-4-[4-(furan-3-carbonyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: N-(3-cyanophenyl)-4-[4-[3-furanyl(oxo)methyl]-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-(3-cyanophenyl)-4-[4-(furan-3-carbonyl)piperazin-1-yl]-3-nitrobenzamide Traditional Name: N-(3-cyanophenyl)-4-[4-(3-furoyl)piperazino]-3-nitro-benzamide Formula: C23H19N5O5 MolecularWeight: 445.42746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C#N)[N+](=O)[O-])C(=O)C4=COC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C#N)[N+](=O)[O-])C(=O)C4=COC=C4

InChI

InChI=1S/C23H19N5O5/c24-14-16-2-1-3-19(12-16)25-22(29)17-4-5-20(21(13-17)28(31)32)26-7-9-27(10-8-26)23(30)18-6-11-33-15-18/h1-6,11-13,15H,7-10H2,(H,25,29)