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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N=C1CN4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N=C1CN4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H30N6O3/c1-2-33-26-13-10-23(29-28(35)22-8-11-24(12-9-22)34(36)37)18-25(26)30-27(33)20-32-16-14-31(15-17-32)19-21-6-4-3-5-7-21/h3-13,18H,2,14-17,19-20H2,1H3,(H,29,35)