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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2C=C(C=N2)NC(=O)CCN3C(=C(C(=N3)C)[N+](=O)[O-])C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C=C(C=N2)NC(=O)CCN3C(=C(C(=N3)C)[N+](=O)[O-])C)OCC

InChI

InChI=1S/C22H28N6O5/c1-5-32-19-8-7-17(11-20(19)33-6-2)13-26-14-18(12-23-26)24-21(29)9-10-27-16(4)22(28(30)31)15(3)25-27/h7-8,11-12,14H,5-6,9-10,13H2,1-4H3,(H,24,29)