1-(3-chloranylthiophen-2-yl)carbonyl-4-[(3-fluorophenyl)methyl]-1,4-diazepan-5-one

Systemtic Name: 1-(3-chloranylthiophen-2-yl)carbonyl-4-[(3-fluorophenyl)methyl]-1,4-diazepan-5-one Openeye Name: 1-(3-chlorothiophene-2-carbonyl)-4-[(3-fluorophenyl)methyl]-1,4-diazepan-5-one CAS Name: 1-[(3-chloro-2-thiophenyl)-oxomethyl]-4-[(3-fluorophenyl)methyl]-1,4-diazepan-5-one IUPAC Name: 1-(3-chlorothiophene-2-carbonyl)-4-[(3-fluorophenyl)methyl]-1,4-diazepan-5-one Traditional Name: 1-(3-chlorothiophene-2-carbonyl)-4-(3-fluorobenzyl)-1,4-diazepan-5-one Formula: C17H16ClFN2O2S MolecularWeight: 366.837543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CC2=CC(=CC=C2)F)C(=O)C3=C(C=CS3)Cl

Isomeric SMILES

C1CN(CCN(C1=O)CC2=CC(=CC=C2)F)C(=O)C3=C(C=CS3)Cl

InChI

InChI=1S/C17H16ClFN2O2S/c18-14-5-9-24-16(14)17(23)20-6-4-15(22)21(8-7-20)11-12-2-1-3-13(19)10-12/h1-3,5,9-10H,4,6-8,11H2