1-(3-chloranylthiophen-2-yl)carbonyl-4-(phenylmethyl)-1,4-diazepan-5-one

Systemtic Name: 1-(3-chloranylthiophen-2-yl)carbonyl-4-(phenylmethyl)-1,4-diazepan-5-one Openeye Name: 4-benzyl-1-(3-chlorothiophene-2-carbonyl)-1,4-diazepan-5-one CAS Name: 1-[(3-chloro-2-thiophenyl)-oxomethyl]-4-(phenylmethyl)-1,4-diazepan-5-one IUPAC Name: 4-benzyl-1-(3-chlorothiophene-2-carbonyl)-1,4-diazepan-5-one Traditional Name: 4-benzyl-1-(3-chlorothiophene-2-carbonyl)-1,4-diazepan-5-one Formula: C17H17ClN2O2S MolecularWeight: 348.84708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O2S/c18-14-7-11-23-16(14)17(22)19-8-6-15(21)20(10-9-19)12-13-4-2-1-3-5-13/h1-5,7,11H,6,8-10,12H2