2-azanyl-1-(4-bromophenyl)-4-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1-(4-bromophenyl)-4-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(4-bromophenyl)-4-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(4-bromophenyl)-4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(4-bromophenyl)-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-(4-bromophenyl)-4-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C26H21BrClN5O MolecularWeight: 534.83484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)Br)N)C#N)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)Br)N)C#N)Cl)C5=CC=CC=C5

InChI

InChI=1S/C26H21BrClN5O/c1-15-22(25(28)33(31-15)18-6-3-2-4-7-18)23-19(14-29)26(30)32(17-12-10-16(27)11-13-17)20-8-5-9-21(34)24(20)23/h2-4,6-7,10-13,23H,5,8-9,30H2,1H3