2-methyl-4,6-dinitro-5-(4-phenylpiperazin-1-yl)-1H-benzimidazole

Systemtic Name: 2-methyl-4,6-dinitro-5-(4-phenylpiperazin-1-yl)-1H-benzimidazole Openeye Name: 2-methyl-4,6-dinitro-5-(4-phenylpiperazin-1-yl)-1H-benzimidazole CAS Name: 2-methyl-4,6-dinitro-5-(4-phenyl-1-piperazinyl)-1H-benzimidazole IUPAC Name: 2-methyl-4,6-dinitro-5-(4-phenylpiperazin-1-yl)-1H-benzimidazole Traditional Name: 2-methyl-4,6-dinitro-5-(4-phenylpiperazino)-1H-benzimidazole Formula: C18H18N6O4 MolecularWeight: 382.37332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C(C=C2N1)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C(=C(C=C2N1)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O4/c1-12-19-14-11-15(23(25)26)17(18(24(27)28)16(14)20-12)22-9-7-21(8-10-22)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3,(H,19,20)