methyl 4-[[(4-bromophenyl)-[4-butyl-3,5-bis(oxidanylidene)-1,2-diphenyl-pyrazolidin-4-yl]methyl]amino]benzoate

Systemtic Name: methyl 4-[[(4-bromophenyl)-[4-butyl-3,5-bis(oxidanylidene)-1,2-diphenyl-pyrazolidin-4-yl]methyl]amino]benzoate Openeye Name: methyl 4-[[(4-bromophenyl)-(4-butyl-3,5-dioxo-1,2-diphenyl-pyrazolidin-4-yl)methyl]amino]benzoate CAS Name: 4-[[(4-bromophenyl)-(4-butyl-3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-bromophenyl)-(4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methyl]amino]benzoate Traditional Name: 4-[[(4-bromophenyl)-(4-butyl-3,5-diketo-1,2-diphenyl-pyrazolidin-4-yl)methyl]amino]benzoic acid methyl ester Formula: C34H32BrN3O4 MolecularWeight: 626.53958

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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)C(C4=CC=C(C=C4)Br)NC5=CC=C(C=C5)C(=O)OC

Isomeric SMILES

CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)C(C4=CC=C(C=C4)Br)NC5=CC=C(C=C5)C(=O)OC

InChI

InChI=1S/C34H32BrN3O4/c1-3-4-23-34(30(24-15-19-26(35)20-16-24)36-27-21-17-25(18-22-27)31(39)42-2)32(40)37(28-11-7-5-8-12-28)38(33(34)41)29-13-9-6-10-14-29/h5-22,30,36H,3-4,23H2,1-2H3