2-azanyl-1-(3-bromophenyl)-7,7-dimethyl-5-oxidanylidene-4-(1,3,5-trimethylpyrazol-4-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1-(3-bromophenyl)-7,7-dimethyl-5-oxidanylidene-4-(1,3,5-trimethylpyrazol-4-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-1-(3-bromophenyl)-7,7-dimethyl-5-oxo-4-(1,3,5-trimethylpyrazol-4-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-(3-bromophenyl)-7,7-dimethyl-5-oxo-4-(1,3,5-trimethyl-4-pyrazolyl)-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(3-bromophenyl)-7,7-dimethyl-5-oxo-4-(1,3,5-trimethylpyrazol-4-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-(3-bromophenyl)-5-keto-7,7-dimethyl-4-(1,3,5-trimethylpyrazol-4-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C24H26BrN5O MolecularWeight: 480.40014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC(=CC=C4)Br)N)C#N

Isomeric SMILES

CC1=C(C(=NN1C)C)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC(=CC=C4)Br)N)C#N

InChI

InChI=1S/C24H26BrN5O/c1-13-20(14(2)29(5)28-13)21-17(12-26)23(27)30(16-8-6-7-15(25)9-16)18-10-24(3,4)11-19(31)22(18)21/h6-9,21H,10-11,27H2,1-5H3