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

Systemtic Name: N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-3-(5-methyl-3-nitro-pyrazol-1-yl)propanamide Openeye Name: N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-3-(5-methyl-3-nitro-pyrazol-1-yl)propanamide CAS Name: N-[1-[(3,4-diethoxyphenyl)methyl]-4-pyrazolyl]-3-(5-methyl-3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-3-(5-methyl-3-nitropyrazol-1-yl)propanamide Traditional Name: N-[1-(3,4-diethoxybenzyl)pyrazol-4-yl]-3-(5-methyl-3-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(=CC(=N3)[N+](=O)[O-])C)OCC

Isomeric SMILES

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

InChI

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