4-[(7-chloranyl-1-benzothiophen-3-yl)-pyridin-4-yl-amino]-1-(4-fluorophenyl)butan-1-one hydrochloride

Systemtic Name: 4-[(7-chloranyl-1-benzothiophen-3-yl)-pyridin-4-yl-amino]-1-(4-fluorophenyl)butan-1-one hydrochloride Openeye Name: 4-[(7-chlorobenzothiophen-3-yl)-(4-pyridyl)amino]-1-(4-fluorophenyl)butan-1-one hydrochloride CAS Name: 4-[(7-chloro-1-benzothiophen-3-yl)-pyridin-4-ylamino]-1-(4-fluorophenyl)-1-butanone hydrochloride IUPAC Name: 4-[(7-chloro-1-benzothiophen-3-yl)-pyridin-4-ylamino]-1-(4-fluorophenyl)butan-1-one hydrochloride Traditional Name: 4-[(7-chlorobenzothiophen-3-yl)-(4-pyridyl)amino]-1-(4-fluorophenyl)butan-1-one hydrochloride Formula: C23H19Cl2FN2OS MolecularWeight: 461.379163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Cl)SC=C2N(CCCC(=O)C3=CC=C(C=C3)F)C4=CC=NC=C4.Cl

Isomeric SMILES

C1=CC2=C(C(=C1)Cl)SC=C2N(CCCC(=O)C3=CC=C(C=C3)F)C4=CC=NC=C4.Cl

InChI

InChI=1S/C23H18ClFN2OS.ClH/c24-20-4-1-3-19-21(15-29-23(19)20)27(18-10-12-26-13-11-18)14-2-5-22(28)16-6-8-17(25)9-7-16;/h1,3-4,6-13,15H,2,5,14H2;1H