1-[[(4-bromophenyl)amino]methyl]-3-methyl-cyclohepta[c]pyrazol-8-one

Systemtic Name: 1-[[(4-bromophenyl)amino]methyl]-3-methyl-cyclohepta[c]pyrazol-8-one Openeye Name: 1-[(4-bromoanilino)methyl]-3-methyl-cyclohepta[c]pyrazol-8-one CAS Name: 1-[(4-bromoanilino)methyl]-3-methyl-8-cyclohepta[c]pyrazolone IUPAC Name: 1-[(4-bromoanilino)methyl]-3-methylcyclohepta[c]pyrazol-8-one Traditional Name: 1-[(4-bromoanilino)methyl]-3-methyl-cyclohepta[c]pyrazol-8-one Formula: C16H14BrN3O MolecularWeight: 344.20586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=CC=CC2=O)CNC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=NN(C2=C1C=CC=CC2=O)CNC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H14BrN3O/c1-11-14-4-2-3-5-15(21)16(14)20(19-11)10-18-13-8-6-12(17)7-9-13/h2-9,18H,10H2,1H3