3-[(2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl)-(3-hydroxyphenyl)methyl]-N-ethyl-N-(4-fluorophenyl)benzamide

Systemtic Name: 3-[(2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl)-(3-hydroxyphenyl)methyl]-N-ethyl-N-(4-fluorophenyl)benzamide Openeye Name: 3-[(4-allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxyphenyl)methyl]-N-ethyl-N-(4-fluorophenyl)benzamide CAS Name: 3-[(2,5-dimethyl-4-prop-2-enyl-1-piperazinyl)-(3-hydroxyphenyl)methyl]-N-ethyl-N-(4-fluorophenyl)benzamide IUPAC Name: 3-[(2,5-dimethyl-4-prop-2-enylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]-N-ethyl-N-(4-fluorophenyl)benzamide Traditional Name: 3-[(4-allyl-2,5-dimethyl-piperazino)-(3-hydroxyphenyl)methyl]-N-ethyl-N-(4-fluorophenyl)benzamide Formula: C31H36FN3O2 MolecularWeight: 501.634843

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)F)C(=O)C2=CC(=CC=C2)C(C3=CC(=CC=C3)O)N4CC(N(CC4C)CC=C)C

Isomeric SMILES

CCN(C1=CC=C(C=C1)F)C(=O)C2=CC(=CC=C2)C(C3=CC(=CC=C3)O)N4CC(N(CC4C)CC=C)C

InChI

InChI=1S/C31H36FN3O2/c1-5-17-33-20-23(4)35(21-22(33)3)30(25-10-8-12-29(36)19-25)24-9-7-11-26(18-24)31(37)34(6-2)28-15-13-27(32)14-16-28/h5,7-16,18-19,22-23,30,36H,1,6,17,20-21H2,2-4H3