2-[2,4-bis(bromanyl)phenyl]-4-[(heptylamino)methylidene]-5-methyl-pyrazol-3-one

Systemtic Name: 2-[2,4-bis(bromanyl)phenyl]-4-[(heptylamino)methylidene]-5-methyl-pyrazol-3-one Openeye Name: 2-(2,4-dibromophenyl)-4-[(heptylamino)methylene]-5-methyl-pyrazol-3-one CAS Name: 2-(2,4-dibromophenyl)-4-[(heptylamino)methylidene]-5-methyl-3-pyrazolone IUPAC Name: 2-(2,4-dibromophenyl)-4-[(heptylamino)methylidene]-5-methylpyrazol-3-one Traditional Name: 2-(2,4-dibromophenyl)-4-[(heptylamino)methylene]-5-methyl-2-pyrazolin-3-one Formula: C18H23Br2N3O MolecularWeight: 457.20272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC=C1C(=NN(C1=O)C2=C(C=C(C=C2)Br)Br)C

Isomeric SMILES

CCCCCCCNC=C1C(=NN(C1=O)C2=C(C=C(C=C2)Br)Br)C

InChI

InChI=1S/C18H23Br2N3O/c1-3-4-5-6-7-10-21-12-15-13(2)22-23(18(15)24)17-9-8-14(19)11-16(17)20/h8-9,11-12,21H,3-7,10H2,1-2H3