N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3-nitro-4-piperidino-benzamide Formula: C28H28N4O4 MolecularWeight: 484.54632

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C28H28N4O4/c1-3-19-8-12-26-23(15-19)30-28(36-26)21-9-7-18(2)22(16-21)29-27(33)20-10-11-24(25(17-20)32(34)35)31-13-5-4-6-14-31/h7-12,15-17H,3-6,13-14H2,1-2H3,(H,29,33)