2-[[5-[[1-(4-bromophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]-2-methyl-phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[5-[[1-(4-bromophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]-2-methyl-phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[5-[[1-(4-bromophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methylamino]-2-methyl-phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[5-[[1-(4-bromophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methylamino]-2-methylphenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-[[1-(4-bromophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methylamino]-2-methylphenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[5-[[1-(4-bromophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methylamino]-2-methyl-benzyl]isoindoline-1,3-quinone Formula: C27H21BrN4O3 MolecularWeight: 529.38464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC=C2C(=NN(C2=O)C3=CC=C(C=C3)Br)C)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=C(C=C(C=C1)NC=C2C(=NN(C2=O)C3=CC=C(C=C3)Br)C)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H21BrN4O3/c1-16-7-10-20(13-18(16)15-31-25(33)22-5-3-4-6-23(22)26(31)34)29-14-24-17(2)30-32(27(24)35)21-11-8-19(28)9-12-21/h3-14,29H,15H2,1-2H3