4-(1,3-benzothiazol-2-yl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-[2-(4-fluorophenyl)-1-pyrrolidinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-[2-(4-fluorophenyl)pyrrolidino]butan-1-one Formula: C21H21FN2OS MolecularWeight: 368.467643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCCC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC(N(C1)C(=O)CCCC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN2OS/c22-16-12-10-15(11-13-16)18-6-4-14-24(18)21(25)9-3-8-20-23-17-5-1-2-7-19(17)26-20/h1-2,5,7,10-13,18H,3-4,6,8-9,14H2