4-(azepan-1-yl)-N-[1-(furan-3-ylcarbonyl)piperidin-4-yl]-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-[1-(furan-3-ylcarbonyl)piperidin-4-yl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[1-(furan-3-carbonyl)-4-piperidyl]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[1-[3-furanyl(oxo)methyl]-4-piperidinyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[1-(3-furoyl)-4-piperidyl]-3-nitro-benzamide Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCN(CC3)C(=O)C4=COC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCN(CC3)C(=O)C4=COC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O5/c28-22(24-19-7-12-26(13-8-19)23(29)18-9-14-32-16-18)17-5-6-20(21(15-17)27(30)31)25-10-3-1-2-4-11-25/h5-6,9,14-16,19H,1-4,7-8,10-13H2,(H,24,28)