3-(6-bromanylquinolin-2-yl)-2-[2-methyl-4-(phenylcarbonyl)piperazin-1-yl]-3-oxidanylidene-propanenitrile

Systemtic Name: 3-(6-bromanylquinolin-2-yl)-2-[2-methyl-4-(phenylcarbonyl)piperazin-1-yl]-3-oxidanylidene-propanenitrile Openeye Name: 2-(4-benzoyl-2-methyl-piperazin-1-yl)-3-(6-bromo-2-quinolyl)-3-oxo-propanenitrile CAS Name: 2-(4-benzoyl-2-methyl-1-piperazinyl)-3-(6-bromo-2-quinolinyl)-3-oxopropanenitrile IUPAC Name: 2-(4-benzoyl-2-methylpiperazin-1-yl)-3-(6-bromoquinolin-2-yl)-3-oxopropanenitrile Traditional Name: 2-(4-benzoyl-2-methyl-piperazino)-3-(6-bromo-2-quinolyl)-3-keto-propionitrile Formula: C24H21BrN4O2 MolecularWeight: 477.35314

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(C#N)C(=O)C2=NC3=C(C=C2)C=C(C=C3)Br)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1C(C#N)C(=O)C2=NC3=C(C=C2)C=C(C=C3)Br)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H21BrN4O2/c1-16-15-28(24(31)17-5-3-2-4-6-17)11-12-29(16)22(14-26)23(30)21-9-7-18-13-19(25)8-10-20(18)27-21/h2-10,13,16,22H,11-12,15H2,1H3