2-[4-[2-(2,4-dimethylphenyl)quinolin-4-yl]carbonylpiperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[2-(2,4-dimethylphenyl)quinolin-4-yl]carbonylpiperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[2-(2,4-dimethylphenyl)-4-quinolinyl]-oxomethyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]piperazino]isonicotinonitrile Formula: C28H25N5O MolecularWeight: 447.531

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=NC=CC(=C5)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=NC=CC(=C5)C#N)C

InChI

InChI=1S/C28H25N5O/c1-19-7-8-22(20(2)15-19)26-17-24(23-5-3-4-6-25(23)31-26)28(34)33-13-11-32(12-14-33)27-16-21(18-29)9-10-30-27/h3-10,15-17H,11-14H2,1-2H3