N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]-4-nitro-benzamide

Systemtic Name: N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]-4-nitro-benzamide Openeye Name: N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]-4-nitro-benzamide CAS Name: N-[1-methyl-2-[2-(4-phenyl-1-piperazinyl)ethyl]-5-benzimidazolyl]-4-nitrobenzamide IUPAC Name: N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]-4-nitrobenzamide Traditional Name: N-[1-methyl-2-[2-(4-phenylpiperazino)ethyl]benzimidazol-5-yl]-4-nitro-benzamide Formula: C27H28N6O3 MolecularWeight: 484.54962

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N=C1CCN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N=C1CCN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N6O3/c1-30-25-12-9-21(28-27(34)20-7-10-23(11-8-20)33(35)36)19-24(25)29-26(30)13-14-31-15-17-32(18-16-31)22-5-3-2-4-6-22/h2-12,19H,13-18H2,1H3,(H,28,34)