4-(4-fluorophenyl)-2-(phenylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-isoindol-5-one

Systemtic Name: 4-(4-fluorophenyl)-2-(phenylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-isoindol-5-one Openeye Name: 2-benzyl-4-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-1H-isoindol-5-one CAS Name: 4-(4-fluorophenyl)-2-(phenylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-isoindol-5-one IUPAC Name: 2-benzyl-4-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-1H-isoindol-5-one Traditional Name: 2-benzyl-4-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-1H-isoindol-5-one Formula: C21H22FNO MolecularWeight: 323.403883

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C2C1CN(C2)CC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC(=O)C(C2C1CN(C2)CC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FNO/c22-18-9-6-16(7-10-18)21-19-14-23(12-15-4-2-1-3-5-15)13-17(19)8-11-20(21)24/h1-7,9-10,17,19,21H,8,11-14H2