1-[(4-bromanylphenoxy)methyl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromanylphenoxy)methyl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-bromophenoxy)methyl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide CAS Name: 1-[(4-bromophenoxy)methyl]-N-[1-[3-(1-pyrrolyl)phenyl]ethyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromophenoxy)methyl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-bromophenoxy)methyl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide Formula: C23H21BrN4O2 MolecularWeight: 465.34244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)N2C=CC=C2)NC(=O)C3=NN(C=C3)COC4=CC=C(C=C4)Br

Isomeric SMILES

CC(C1=CC(=CC=C1)N2C=CC=C2)NC(=O)C3=NN(C=C3)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H21BrN4O2/c1-17(18-5-4-6-20(15-18)27-12-2-3-13-27)25-23(29)22-11-14-28(26-22)16-30-21-9-7-19(24)8-10-21/h2-15,17H,16H2,1H3,(H,25,29)