(8-oxidanylquinolin-2-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (8-oxidanylquinolin-2-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (8-hydroxy-2-quinolyl)-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (8-hydroxy-2-quinolinyl)-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (8-hydroxyquinolin-2-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (8-hydroxy-2-quinolyl)-[4-(3-thenyl)-1,4-diazepan-1-yl]methanone Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=NC3=C(C=CC=C3O)C=C2)CC4=CSC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=NC3=C(C=CC=C3O)C=C2)CC4=CSC=C4

InChI

InChI=1S/C20H21N3O2S/c24-18-4-1-3-16-5-6-17(21-19(16)18)20(25)23-9-2-8-22(10-11-23)13-15-7-12-26-14-15/h1,3-7,12,14,24H,2,8-11,13H2