4-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]-5-fluoranyl-2-methyl-benzenecarbonitrile

Systemtic Name: 4-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]-5-fluoranyl-2-methyl-benzenecarbonitrile Openeye Name: 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-5-fluoro-2-methyl-benzonitrile CAS Name: 4-[4-[(2,4-dichlorophenyl)-oxomethyl]-1-piperazinyl]-5-fluoro-2-methylbenzonitrile IUPAC Name: 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-5-fluoro-2-methylbenzonitrile Traditional Name: 4-[4-(2,4-dichlorobenzoyl)piperazino]-5-fluoro-2-methyl-benzonitrile Formula: C19H16Cl2FN3O MolecularWeight: 392.254243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C#N)F)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=CC(=C(C=C1C#N)F)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H16Cl2FN3O/c1-12-8-18(17(22)9-13(12)11-23)24-4-6-25(7-5-24)19(26)15-3-2-14(20)10-16(15)21/h2-3,8-10H,4-7H2,1H3