3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]propanamide

Systemtic Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]propanamide Openeye Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]propanamide CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-methyl-N-[1-[3-(1-pyrrolyl)phenyl]ethyl]propanamide IUPAC Name: 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]propanamide Traditional Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]propionamide Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C(=O)NC(C)C2=CC(=CC=C2)N3C=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(C)C(=O)NC(C)C2=CC(=CC=C2)N3C=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O3/c1-14(13-25-17(4)20(26(28)29)16(3)23-25)21(27)22-15(2)18-8-7-9-19(12-18)24-10-5-6-11-24/h5-12,14-15H,13H2,1-4H3,(H,22,27)