1-(4-imidazol-1-ylphenyl)-4-[(2,4,6,7-tetramethyl-5-nitro-3H-1-benzofuran-2-yl)methyl]piperazine

Systemtic Name: 1-(4-imidazol-1-ylphenyl)-4-[(2,4,6,7-tetramethyl-5-nitro-3H-1-benzofuran-2-yl)methyl]piperazine Openeye Name: 1-(4-imidazol-1-ylphenyl)-4-[(2,4,6,7-tetramethyl-5-nitro-3H-benzofuran-2-yl)methyl]piperazine CAS Name: 1-[4-(1-imidazolyl)phenyl]-4-[(2,4,6,7-tetramethyl-5-nitro-3H-benzofuran-2-yl)methyl]piperazine IUPAC Name: 1-(4-imidazol-1-ylphenyl)-4-[(2,4,6,7-tetramethyl-5-nitro-3H-1-benzofuran-2-yl)methyl]piperazine Traditional Name: 1-(4-imidazol-1-ylphenyl)-4-[(2,4,6,7-tetramethyl-5-nitro-coumaran-2-yl)methyl]piperazine Formula: C26H31N5O3 MolecularWeight: 461.55604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CC(OC2=C1C)(C)CN3CCN(CC3)C4=CC=C(C=C4)N5C=CN=C5)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C2CC(OC2=C1C)(C)CN3CCN(CC3)C4=CC=C(C=C4)N5C=CN=C5)C)[N+](=O)[O-]

InChI

InChI=1S/C26H31N5O3/c1-18-19(2)25-23(20(3)24(18)31(32)33)15-26(4,34-25)16-28-11-13-29(14-12-28)21-5-7-22(8-6-21)30-10-9-27-17-30/h5-10,17H,11-16H2,1-4H3