azepan-1-yl-[1-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-(3-chloro-6-fluoro-benzothiophene-2-carbonyl)-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[(3-chloro-6-fluoro-1-benzothiophen-2-yl)-oxomethyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-(3-chloro-6-fluoro-benzothiophene-2-carbonyl)-4-piperidyl]methanone Formula: C21H24ClFN2O2S MolecularWeight: 422.943863

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

InChI

InChI=1S/C21H24ClFN2O2S/c22-18-16-6-5-15(23)13-17(16)28-19(18)21(27)25-11-7-14(8-12-25)20(26)24-9-3-1-2-4-10-24/h5-6,13-14H,1-4,7-12H2