N-[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C27H25BrN4O5 MolecularWeight: 565.4152

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OC(=N4)C5=CC(=C(C=C5)OC)Br)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OC(=N4)C5=CC(=C(C=C5)OC)Br)[N+](=O)[O-]

InChI

InChI=1S/C27H25BrN4O5/c1-16-9-11-31(12-10-16)22-6-3-17(14-23(22)32(34)35)26(33)29-19-5-8-25-21(15-19)30-27(37-25)18-4-7-24(36-2)20(28)13-18/h3-8,13-16H,9-12H2,1-2H3,(H,29,33)