N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide

Systemtic Name: N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide Openeye Name: N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide CAS Name: N-[1-[(3,4-diethoxyphenyl)methyl]-4-pyrazolyl]-2-(5-methyl-3-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(5-methyl-3-nitropyrazol-1-yl)butanamide Traditional Name: N-[1-(3,4-diethoxybenzyl)pyrazol-4-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butyramide Formula: C22H28N6O5 MolecularWeight: 456.49492

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CN(N=C1)CC2=CC(=C(C=C2)OCC)OCC)N3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)NC1=CN(N=C1)CC2=CC(=C(C=C2)OCC)OCC)N3C(=CC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C22H28N6O5/c1-5-18(27-15(4)10-21(25-27)28(30)31)22(29)24-17-12-23-26(14-17)13-16-8-9-19(32-6-2)20(11-16)33-7-3/h8-12,14,18H,5-7,13H2,1-4H3,(H,24,29)