N-methyl-1-(4-nitrophenyl)-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]pyrazole-4-carboxamide

Systemtic Name: N-methyl-1-(4-nitrophenyl)-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]pyrazole-4-carboxamide Openeye Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(4-nitrophenyl)pyrazole-4-carboxamide CAS Name: N-methyl-1-(4-nitrophenyl)-N-[[1-(phenylmethyl)-4-pyrazolyl]methyl]-4-pyrazolecarboxamide IUPAC Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(4-nitrophenyl)pyrazole-4-carboxamide Traditional Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(4-nitrophenyl)pyrazole-4-carboxamide Formula: C22H20N6O3 MolecularWeight: 416.4326

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)C3=CN(N=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)C3=CN(N=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N6O3/c1-25(13-18-11-23-26(15-18)14-17-5-3-2-4-6-17)22(29)19-12-24-27(16-19)20-7-9-21(10-8-20)28(30)31/h2-12,15-16H,13-14H2,1H3