[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4-imidazol-1-yl-3-nitro-phenyl)methanone

Systemtic Name: [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4-imidazol-1-yl-3-nitro-phenyl)methanone Openeye Name: [3-(1,3-benzoxazol-2-yl)-1-piperidyl]-(4-imidazol-1-yl-3-nitro-phenyl)methanone CAS Name: [3-(1,3-benzoxazol-2-yl)-1-piperidinyl]-[4-(1-imidazolyl)-3-nitrophenyl]methanone IUPAC Name: [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4-imidazol-1-yl-3-nitrophenyl)methanone Traditional Name: [3-(1,3-benzoxazol-2-yl)piperidino]-(4-imidazol-1-yl-3-nitro-phenyl)methanone Formula: C22H19N5O4 MolecularWeight: 417.41736

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C22H19N5O4/c28-22(15-7-8-18(19(12-15)27(29)30)26-11-9-23-14-26)25-10-3-4-16(13-25)21-24-17-5-1-2-6-20(17)31-21/h1-2,5-9,11-12,14,16H,3-4,10,13H2