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

Systemtic Name: N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)butanamide CAS Name: N-[1-[(3,4-diethoxyphenyl)methyl]-4-pyrazolyl]-2-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-[1-(3,4-diethoxybenzyl)pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)butyramide Formula: C21H26N6O5 MolecularWeight: 442.46834

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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=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O5/c1-4-18(26-14-17(11-23-26)27(29)30)21(28)24-16-10-22-25(13-16)12-15-7-8-19(31-5-2)20(9-15)32-6-3/h7-11,13-14,18H,4-6,12H2,1-3H3,(H,24,28)