2-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]-6,7-dimethyl-quinoline-3-carbonitrile

Systemtic Name: 2-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]-6,7-dimethyl-quinoline-3-carbonitrile Openeye Name: 2-[4-(2-fluorobenzoyl)piperazin-1-yl]-6,7-dimethyl-quinoline-3-carbonitrile CAS Name: 2-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]-6,7-dimethyl-3-quinolinecarbonitrile IUPAC Name: 2-[4-(2-fluorobenzoyl)piperazin-1-yl]-6,7-dimethylquinoline-3-carbonitrile Traditional Name: 2-[4-(2-fluorobenzoyl)piperazino]-6,7-dimethyl-quinoline-3-carbonitrile Formula: C23H21FN4O MolecularWeight: 388.437443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=N2)N3CCN(CC3)C(=O)C4=CC=CC=C4F)C#N)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=N2)N3CCN(CC3)C(=O)C4=CC=CC=C4F)C#N)C

InChI

InChI=1S/C23H21FN4O/c1-15-11-17-13-18(14-25)22(26-21(17)12-16(15)2)27-7-9-28(10-8-27)23(29)19-5-3-4-6-20(19)24/h3-6,11-13H,7-10H2,1-2H3