dimethylcarbamic acid; 1-(4-fluorophenyl)-2-oxidanyl-4-(4-phenylpiperazin-1-yl)butan-1-one

Systemtic Name: dimethylcarbamic acid; 1-(4-fluorophenyl)-2-oxidanyl-4-(4-phenylpiperazin-1-yl)butan-1-one Openeye Name: dimethylcarbamic acid; 1-(4-fluorophenyl)-2-hydroxy-4-(4-phenylpiperazin-1-yl)butan-1-one CAS Name: dimethylcarbamic acid; 1-(4-fluorophenyl)-2-hydroxy-4-(4-phenyl-1-piperazinyl)-1-butanone IUPAC Name: dimethylcarbamic acid; 1-(4-fluorophenyl)-2-hydroxy-4-(4-phenylpiperazin-1-yl)butan-1-one Traditional Name: dimethylcarbamic acid; 1-(4-fluorophenyl)-2-hydroxy-4-(4-phenylpiperazino)butan-1-one Formula: C23H30FN3O4 MolecularWeight: 431.500403

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)O.C1CN(CCN1CCC(C(=O)C2=CC=C(C=C2)F)O)C3=CC=CC=C3

Isomeric SMILES

CN(C)C(=O)O.C1CN(CCN1CCC(C(=O)C2=CC=C(C=C2)F)O)C3=CC=CC=C3

InChI

InChI=1S/C20H23FN2O2.C3H7NO2/c21-17-8-6-16(7-9-17)20(25)19(24)10-11-22-12-14-23(15-13-22)18-4-2-1-3-5-18;1-4(2)3(5)6/h1-9,19,24H,10-15H2;1-2H3,(H,5,6)