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

Systemtic Name: (5-pyridin-2-ylthiophen-2-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: [5-(2-pyridyl)-2-thienyl]-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [5-(2-pyridinyl)-2-thiophenyl]-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (5-pyridin-2-ylthiophen-2-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: [5-(2-pyridyl)-2-thienyl]-[4-(3-thenyl)-1,4-diazepan-1-yl]methanone Formula: C20H21N3OS2 MolecularWeight: 383.53024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=C(S2)C3=CC=CC=N3)CC4=CSC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=C(S2)C3=CC=CC=N3)CC4=CSC=C4

InChI

InChI=1S/C20H21N3OS2/c24-20(19-6-5-18(26-19)17-4-1-2-8-21-17)23-10-3-9-22(11-12-23)14-16-7-13-25-15-16/h1-2,4-8,13,15H,3,9-12,14H2