4-[7-chloranyl-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]benzenecarbonitrile

Systemtic Name: 4-[7-chloranyl-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]benzenecarbonitrile Openeye Name: 4-[7-chloro-3-(3,5-dimethylphenyl)-4-[2-(2-piperidyl)ethoxy]-6-quinolyl]benzonitrile CAS Name: 4-[7-chloro-3-(3,5-dimethylphenyl)-4-[2-(2-piperidinyl)ethoxy]-6-quinolinyl]benzonitrile IUPAC Name: 4-[7-chloro-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]benzonitrile Traditional Name: 4-[7-chloro-3-(3,5-dimethylphenyl)-4-[2-(2-piperidyl)ethoxy]-6-quinolyl]benzonitrile Formula: C31H30ClN3O MolecularWeight: 496.0424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3N=C2)Cl)C4=CC=C(C=C4)C#N)OCCC5CCCCN5)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3N=C2)Cl)C4=CC=C(C=C4)C#N)OCCC5CCCCN5)C

InChI

InChI=1S/C31H30ClN3O/c1-20-13-21(2)15-24(14-20)28-19-35-30-17-29(32)26(23-8-6-22(18-33)7-9-23)16-27(30)31(28)36-12-10-25-5-3-4-11-34-25/h6-9,13-17,19,25,34H,3-5,10-12H2,1-2H3