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

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

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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-])OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O5/c1-4-31-19-7-6-16(10-20(19)32-5-2)12-26-13-17(11-22-26)23-21(28)8-9-25-14-18(27(29)30)15(3)24-25/h6-7,10-11,13-14H,4-5,8-9,12H2,1-3H3,(H,23,28)