1,3-diethyl-4,6-dinitro-5-[4-(phenylmethyl)piperazin-1-yl]benzimidazol-2-one

Systemtic Name: 1,3-diethyl-4,6-dinitro-5-[4-(phenylmethyl)piperazin-1-yl]benzimidazol-2-one Openeye Name: 5-(4-benzylpiperazin-1-yl)-1,3-diethyl-4,6-dinitro-benzimidazol-2-one CAS Name: 1,3-diethyl-4,6-dinitro-5-[4-(phenylmethyl)-1-piperazinyl]-2-benzimidazolone IUPAC Name: 5-(4-benzylpiperazin-1-yl)-1,3-diethyl-4,6-dinitrobenzimidazol-2-one Traditional Name: 5-(4-benzylpiperazino)-1,3-diethyl-4,6-dinitro-benzimidazol-2-one Formula: C22H26N6O5 MolecularWeight: 454.47904

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C(=C2N(C1=O)CC)[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=CC(=C(C(=C2N(C1=O)CC)[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O5/c1-3-25-17-14-18(27(30)31)19(21(28(32)33)20(17)26(4-2)22(25)29)24-12-10-23(11-13-24)15-16-8-6-5-7-9-16/h5-9,14H,3-4,10-13,15H2,1-2H3