2-[4-(6-chloranyl-2-methyl-quinolin-3-yl)carbonylpiperazin-1-yl]-2-(4-fluorophenyl)ethanenitrile

Systemtic Name: 2-[4-(6-chloranyl-2-methyl-quinolin-3-yl)carbonylpiperazin-1-yl]-2-(4-fluorophenyl)ethanenitrile Openeye Name: 2-[4-(6-chloro-2-methyl-quinoline-3-carbonyl)piperazin-1-yl]-2-(4-fluorophenyl)acetonitrile CAS Name: 2-[4-[(6-chloro-2-methyl-3-quinolinyl)-oxomethyl]-1-piperazinyl]-2-(4-fluorophenyl)acetonitrile IUPAC Name: 2-[4-(6-chloro-2-methylquinoline-3-carbonyl)piperazin-1-yl]-2-(4-fluorophenyl)acetonitrile Traditional Name: 2-[4-(6-chloro-2-methyl-quinoline-3-carbonyl)piperazino]-2-(4-fluorophenyl)acetonitrile Formula: C23H20ClFN4O MolecularWeight: 422.882503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)N3CCN(CC3)C(C#N)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)N3CCN(CC3)C(C#N)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H20ClFN4O/c1-15-20(13-17-12-18(24)4-7-21(17)27-15)23(30)29-10-8-28(9-11-29)22(14-26)16-2-5-19(25)6-3-16/h2-7,12-13,22H,8-11H2,1H3