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

Systemtic Name: N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide Openeye Name: N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide CAS Name: N-[1-[(3,4-diethoxyphenyl)methyl]-4-pyrazolyl]-3-(3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide Traditional Name: N-[1-(3,4-diethoxybenzyl)pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propionamide Formula: C20H24N6O5 MolecularWeight: 428.44176

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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-])OCC

Isomeric SMILES

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

InChI

InChI=1S/C20H24N6O5/c1-3-30-17-6-5-15(11-18(17)31-4-2)13-25-14-16(12-21-25)22-20(27)8-10-24-9-7-19(23-24)26(28)29/h5-7,9,11-12,14H,3-4,8,10,13H2,1-2H3,(H,22,27)