4-[[(4-bromanyl-3-methyl-phenyl)amino]methyl]-4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione

Systemtic Name: 4-[[(4-bromanyl-3-methyl-phenyl)amino]methyl]-4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione Openeye Name: 4-[(4-bromo-3-methyl-anilino)methyl]-4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione CAS Name: 4-[(4-bromo-3-methylanilino)methyl]-4-butyl-1,2-diphenylpyrazolidine-3,5-dione IUPAC Name: 4-[(4-bromo-3-methylanilino)methyl]-4-butyl-1,2-diphenylpyrazolidine-3,5-dione Traditional Name: 4-[(4-bromo-3-methyl-anilino)methyl]-4-butyl-1,2-diphenyl-pyrazolidine-3,5-quinone Formula: C27H28BrN3O2 MolecularWeight: 506.43412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)CNC4=CC(=C(C=C4)Br)C

Isomeric SMILES

CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)CNC4=CC(=C(C=C4)Br)C

InChI

InChI=1S/C27H28BrN3O2/c1-3-4-17-27(19-29-21-15-16-24(28)20(2)18-21)25(32)30(22-11-7-5-8-12-22)31(26(27)33)23-13-9-6-10-14-23/h5-16,18,29H,3-4,17,19H2,1-2H3