N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide

Systemtic Name: N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-[(1R)-1-(benzofuran-2-yl)ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-[(1R)-1-(2-benzofuranyl)ethyl]-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-[(1R)-1-(benzofuran-2-yl)ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC(C)C3=CC4=CC=CC=C4O3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N[C@H](C)C3=CC4=CC=CC=C4O3)C)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O4/c1-14(21-12-19-6-4-5-7-20(19)31-21)24-23(28)18-10-8-17(9-11-18)13-26-16(3)22(27(29)30)15(2)25-26/h4-12,14H,13H2,1-3H3,(H,24,28)/t14-/m1/s1