[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-thiophen-3-yl-methanone

Systemtic Name: [4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-thiophen-3-yl-methanone Openeye Name: [4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]-(3-thienyl)methanone CAS Name: [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-(3-thiophenyl)methanone IUPAC Name: [4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-thiophen-3-ylmethanone Traditional Name: [4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]-(3-thienyl)methanone Formula: C16H15ClF3N3OS MolecularWeight: 389.82301

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CSC=C2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CSC=C2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C16H15ClF3N3OS/c17-13-8-12(16(18,19)20)9-21-14(13)22-3-1-4-23(6-5-22)15(24)11-2-7-25-10-11/h2,7-10H,1,3-6H2