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

Systemtic Name: [2-(3-bromanylphenoxy)pyridin-3-yl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: [2-(3-bromophenoxy)-3-pyridyl]-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [2-(3-bromophenoxy)-3-pyridinyl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [2-(3-bromophenoxy)pyridin-3-yl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: [2-(3-bromophenoxy)-3-pyridyl]-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C22H22BrN3O2S MolecularWeight: 472.39798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=C(N=CC=C2)OC3=CC(=CC=C3)Br)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=C(N=CC=C2)OC3=CC(=CC=C3)Br)CC4=CC=CS4

InChI

InChI=1S/C22H22BrN3O2S/c23-17-5-1-6-18(15-17)28-21-20(8-2-9-24-21)22(27)26-11-4-10-25(12-13-26)16-19-7-3-14-29-19/h1-3,5-9,14-15H,4,10-13,16H2