4-[4-(4-fluorophenyl)-3-piperazin-1-yl-3a,7a-dihydro-1,2-benzoxazol-5-yl]butanal

Systemtic Name: 4-[4-(4-fluorophenyl)-3-piperazin-1-yl-3a,7a-dihydro-1,2-benzoxazol-5-yl]butanal Openeye Name: 4-[4-(4-fluorophenyl)-3-piperazin-1-yl-3a,7a-dihydro-1,2-benzoxazol-5-yl]butanal CAS Name: 4-[4-(4-fluorophenyl)-3-(1-piperazinyl)-3a,7a-dihydro-1,2-benzoxazol-5-yl]butanal IUPAC Name: 4-[4-(4-fluorophenyl)-3-piperazin-1-yl-3a,7a-dihydro-1,2-benzoxazol-5-yl]butanal Traditional Name: 4-[4-(4-fluorophenyl)-3-piperazino-3a,7a-dihydroindoxazen-5-yl]butyraldehyde Formula: C21H24FN3O2 MolecularWeight: 369.432563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NOC3C2C(=C(C=C3)CCCC=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1)C2=NOC3C2C(=C(C=C3)CCCC=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H24FN3O2/c22-17-7-4-16(5-8-17)19-15(3-1-2-14-26)6-9-18-20(19)21(24-27-18)25-12-10-23-11-13-25/h4-9,14,18,20,23H,1-3,10-13H2