3-[(4-nitropyrazol-1-yl)methyl]-N-[1-(phenylmethyl)pyrazol-3-yl]benzamide

Systemtic Name: 3-[(4-nitropyrazol-1-yl)methyl]-N-[1-(phenylmethyl)pyrazol-3-yl]benzamide Openeye Name: N-(1-benzylpyrazol-3-yl)-3-[(4-nitropyrazol-1-yl)methyl]benzamide CAS Name: 3-[(4-nitro-1-pyrazolyl)methyl]-N-[1-(phenylmethyl)-3-pyrazolyl]benzamide IUPAC Name: N-(1-benzylpyrazol-3-yl)-3-[(4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-(1-benzylpyrazol-3-yl)-3-[(4-nitropyrazol-1-yl)methyl]benzamide Formula: C21H18N6O3 MolecularWeight: 402.40602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)C3=CC(=CC=C3)CN4C=C(C=N4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)C3=CC(=CC=C3)CN4C=C(C=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N6O3/c28-21(23-20-9-10-25(24-20)13-16-5-2-1-3-6-16)18-8-4-7-17(11-18)14-26-15-19(12-22-26)27(29)30/h1-12,15H,13-14H2,(H,23,24,28)