N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-[2-(2-benzo[e][1,3]benzoxazolyl)phenyl]-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C29H25N5O4 MolecularWeight: 507.5399

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C4=NC5=C(O4)C=CC6=CC=CC=C65)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C4=NC5=C(O4)C=CC6=CC=CC=C65)[N+](=O)[O-]

InChI

InChI=1S/C29H25N5O4/c1-32-14-16-33(17-15-32)24-12-10-20(18-25(24)34(36)37)28(35)30-23-9-5-4-8-22(23)29-31-27-21-7-3-2-6-19(21)11-13-26(27)38-29/h2-13,18H,14-17H2,1H3,(H,30,35)