N-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-5-(4-nitropyrazol-1-yl)pyridine-3-carboxamide

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-5-(4-nitropyrazol-1-yl)pyridine-3-carboxamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-5-(4-nitropyrazol-1-yl)pyridine-3-carboxamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-5-(4-nitro-1-pyrazolyl)-3-pyridinecarboxamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-5-(4-nitropyrazol-1-yl)pyridine-3-carboxamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-5-(4-nitropyrazol-1-yl)nicotinamide Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC(=CN=C2C)N3C=C(C=N3)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC(=CN=C2C)N3C=C(C=N3)[N+](=O)[O-])OCC

InChI

InChI=1S/C22H25N5O5/c1-4-31-20-7-6-16(10-21(20)32-5-2)8-9-23-22(28)19-11-17(12-24-15(19)3)26-14-18(13-25-26)27(29)30/h6-7,10-14H,4-5,8-9H2,1-3H3,(H,23,28)