N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(3-nitropyrazol-1-yl)propanamide

Systemtic Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(3-nitropyrazol-1-yl)propanamide Openeye Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(3-nitropyrazol-1-yl)propanamide CAS Name: N-[(1,3-diphenyl-4-pyrazolyl)methyl]-3-(3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(3-nitropyrazol-1-yl)propanamide Traditional Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(3-nitropyrazol-1-yl)propionamide Formula: C22H20N6O3 MolecularWeight: 416.4326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)CCN3C=CC(=N3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)CCN3C=CC(=N3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H20N6O3/c29-21(12-14-26-13-11-20(24-26)28(30)31)23-15-18-16-27(19-9-5-2-6-10-19)25-22(18)17-7-3-1-4-8-17/h1-11,13,16H,12,14-15H2,(H,23,29)