1-pyrimidin-2-yl-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-pyrimidin-2-yl-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane Openeye Name: 1-pyrimidin-2-yl-4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepane CAS Name: 1-(2-pyrimidinyl)-4-[[5-(3-thiophenyl)-2-benzofuranyl]methyl]-1,4-diazepane IUPAC Name: 1-pyrimidin-2-yl-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane Traditional Name: 1-(2-pyrimidyl)-4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepane Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=CC=N2)CC3=CC4=C(O3)C=CC(=C4)C5=CSC=C5

Isomeric SMILES

C1CN(CCN(C1)C2=NC=CC=N2)CC3=CC4=C(O3)C=CC(=C4)C5=CSC=C5

InChI

InChI=1S/C22H22N4OS/c1-6-23-22(24-7-1)26-9-2-8-25(10-11-26)15-20-14-19-13-17(3-4-21(19)27-20)18-5-12-28-16-18/h1,3-7,12-14,16H,2,8-11,15H2