3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-[1-[4-(1-pyrrolyl)phenyl]ethyl]propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]propionamide Formula: C18H18BrN5O3 MolecularWeight: 432.27122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CC=C2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=CC=C2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C18H18BrN5O3/c1-13(14-4-6-15(7-5-14)22-9-2-3-10-22)20-17(25)8-11-23-12-16(19)18(21-23)24(26)27/h2-7,9-10,12-13H,8,11H2,1H3,(H,20,25)