[(Z)-[1-azanyl-2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethylidene]amino] 2-methylquinoline-4-carboxylate

Systemtic Name: [(Z)-[1-azanyl-2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethylidene]amino] 2-methylquinoline-4-carboxylate Openeye Name: [(Z)-[1-amino-2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethylidene]amino] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [(Z)-[1-amino-2-(4-bromo-3,5-dimethyl-1-pyrazolyl)ethylidene]amino] ester IUPAC Name: [(Z)-[1-amino-2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethylidene]amino] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [(Z)-[1-amino-2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethylidene]amino] ester Formula: C18H18BrN5O2 MolecularWeight: 416.27182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)ON=C(CN3C(=C(C(=N3)C)Br)C)N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)O/N=C(/CN3C(=C(C(=N3)C)Br)C)\N

InChI

InChI=1S/C18H18BrN5O2/c1-10-8-14(13-6-4-5-7-15(13)21-10)18(25)26-23-16(20)9-24-12(3)17(19)11(2)22-24/h4-8H,9H2,1-3H3,(H2,20,23)