2-fluoranyl-6-[4-(3,4,5-trimethoxyphenyl)carbonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-6-[4-(3,4,5-trimethoxyphenyl)carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-fluoro-6-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]benzonitrile CAS Name: 2-fluoro-6-[4-[oxo-(3,4,5-trimethoxyphenyl)methyl]-1-piperazinyl]benzonitrile IUPAC Name: 2-fluoro-6-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]benzonitrile Traditional Name: 2-fluoro-6-[4-(3,4,5-trimethoxybenzoyl)piperazino]benzonitrile Formula: C21H22FN3O4 MolecularWeight: 399.415483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N

InChI

InChI=1S/C21H22FN3O4/c1-27-18-11-14(12-19(28-2)20(18)29-3)21(26)25-9-7-24(8-10-25)17-6-4-5-16(22)15(17)13-23/h4-6,11-12H,7-10H2,1-3H3