1-(4-bromophenyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]cyclopropane-1-carboxamide

Systemtic Name: 1-(4-bromophenyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]cyclopropane-1-carboxamide Openeye Name: 1-(4-bromophenyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]cyclopropanecarboxamide CAS Name: 1-(4-bromophenyl)-N-[3-[[1-oxo-2-(1-pyrazolyl)propyl]amino]phenyl]-1-cyclopropanecarboxamide IUPAC Name: 1-(4-bromophenyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]cyclopropane-1-carboxamide Traditional Name: 1-(4-bromophenyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]cyclopropanecarboxamide Formula: C22H21BrN4O2 MolecularWeight: 453.33174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)NC(=O)C2(CC2)C3=CC=C(C=C3)Br)N4C=CC=N4

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)NC(=O)C2(CC2)C3=CC=C(C=C3)Br)N4C=CC=N4

InChI

InChI=1S/C22H21BrN4O2/c1-15(27-13-3-12-24-27)20(28)25-18-4-2-5-19(14-18)26-21(29)22(10-11-22)16-6-8-17(23)9-7-16/h2-9,12-15H,10-11H2,1H3,(H,25,28)(H,26,29)