N-[1-methyl-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]benzimidazol-5-yl]-3-nitro-benzamide

Systemtic Name: N-[1-methyl-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]benzimidazol-5-yl]-3-nitro-benzamide Openeye Name: N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methyl-benzimidazol-5-yl]-3-nitro-benzamide CAS Name: N-[1-methyl-2-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-5-benzimidazolyl]-3-nitrobenzamide IUPAC Name: N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-3-nitrobenzamide Traditional Name: N-[2-[2-(4-benzylpiperazino)ethyl]-1-methyl-benzimidazol-5-yl]-3-nitro-benzamide Formula: C28H30N6O3 MolecularWeight: 498.5762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N=C1CCN4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N=C1CCN4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H30N6O3/c1-31-26-11-10-23(29-28(35)22-8-5-9-24(18-22)34(36)37)19-25(26)30-27(31)12-13-32-14-16-33(17-15-32)20-21-6-3-2-4-7-21/h2-11,18-19H,12-17,20H2,1H3,(H,29,35)