2-[4-(7-fluoranyl-2-methyl-quinolin-3-yl)carbonylpiperazin-1-yl]-2-phenyl-ethanenitrile

Systemtic Name: 2-[4-(7-fluoranyl-2-methyl-quinolin-3-yl)carbonylpiperazin-1-yl]-2-phenyl-ethanenitrile Openeye Name: 2-[4-(7-fluoro-2-methyl-quinoline-3-carbonyl)piperazin-1-yl]-2-phenyl-acetonitrile CAS Name: 2-[4-[(7-fluoro-2-methyl-3-quinolinyl)-oxomethyl]-1-piperazinyl]-2-phenylacetonitrile IUPAC Name: 2-[4-(7-fluoro-2-methylquinoline-3-carbonyl)piperazin-1-yl]-2-phenylacetonitrile Traditional Name: 2-[4-(7-fluoro-2-methyl-quinoline-3-carbonyl)piperazino]-2-phenyl-acetonitrile Formula: C23H21FN4O MolecularWeight: 388.437443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21FN4O/c1-16-20(13-18-7-8-19(24)14-21(18)26-16)23(29)28-11-9-27(10-12-28)22(15-25)17-5-3-2-4-6-17/h2-8,13-14,22H,9-12H2,1H3