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

Systemtic Name: N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C26H25N5O4 MolecularWeight: 471.5078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3NC(=O)C4=CC(=C(C=C4)N5CCN(CC5)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3NC(=O)C4=CC(=C(C=C4)N5CCN(CC5)C)[N+](=O)[O-]

InChI

InChI=1S/C26H25N5O4/c1-17-7-10-24-21(15-17)28-26(35-24)19-5-3-4-6-20(19)27-25(32)18-8-9-22(23(16-18)31(33)34)30-13-11-29(2)12-14-30/h3-10,15-16H,11-14H2,1-2H3,(H,27,32)