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

Systemtic Name: 2-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]-6,7-dimethyl-quinoline-3-carbonitrile Openeye Name: 2-[4-(3-fluorobenzoyl)piperazin-1-yl]-6,7-dimethyl-quinoline-3-carbonitrile CAS Name: 2-[4-[(3-fluorophenyl)-oxomethyl]-1-piperazinyl]-6,7-dimethyl-3-quinolinecarbonitrile IUPAC Name: 2-[4-(3-fluorobenzoyl)piperazin-1-yl]-6,7-dimethylquinoline-3-carbonitrile Traditional Name: 2-[4-(3-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=C4)F)C#N)C

Isomeric SMILES

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

InChI

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