2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]ethanamide

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[2-(3-methoxyphenyl)-2-pyrrolidino-ethyl]acetamide Formula: C20H27N5O4 MolecularWeight: 401.45948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NCC(C2=CC(=CC=C2)OC)N3CCCC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NCC(C2=CC(=CC=C2)OC)N3CCCC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O4/c1-14-20(25(27)28)15(2)24(22-14)13-19(26)21-12-18(23-9-4-5-10-23)16-7-6-8-17(11-16)29-3/h6-8,11,18H,4-5,9-10,12-13H2,1-3H3,(H,21,26)