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

Systemtic Name: N-[2-(furan-2-yl)-2-piperidin-1-yl-ethyl]-4-imidazol-1-yl-3-nitro-benzamide Openeye Name: N-[2-(2-furyl)-2-(1-piperidyl)ethyl]-4-imidazol-1-yl-3-nitro-benzamide CAS Name: N-[2-(2-furanyl)-2-(1-piperidinyl)ethyl]-4-(1-imidazolyl)-3-nitrobenzamide IUPAC Name: N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-imidazol-1-yl-3-nitrobenzamide Traditional Name: N-[2-(2-furyl)-2-piperidino-ethyl]-4-imidazol-1-yl-3-nitro-benzamide Formula: C21H23N5O4 MolecularWeight: 409.43842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(CNC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])C4=CC=CO4

Isomeric SMILES

C1CCN(CC1)C(CNC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])C4=CC=CO4

InChI

InChI=1S/C21H23N5O4/c27-21(16-6-7-17(18(13-16)26(28)29)25-11-8-22-15-25)23-14-19(20-5-4-12-30-20)24-9-2-1-3-10-24/h4-8,11-13,15,19H,1-3,9-10,14H2,(H,23,27)