1-(1-benzothiophen-3-yl)-3-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)propan-1-one

Systemtic Name: 1-(1-benzothiophen-3-yl)-3-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)propan-1-one Openeye Name: 1-(benzothiophen-3-yl)-3-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)propan-1-one CAS Name: 1-(1-benzothiophen-3-yl)-3-[4-(2-quinoxalinyl)-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 1-(1-benzothiophen-3-yl)-3-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)propan-1-one Traditional Name: 1-(benzothiophen-3-yl)-3-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)propan-1-one Formula: C24H24N4OS MolecularWeight: 416.53856

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC3=CC=CC=C3N=C2)CCC(=O)C4=CSC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN(C1)C2=NC3=CC=CC=C3N=C2)CCC(=O)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C24H24N4OS/c29-22(19-17-30-23-9-4-1-6-18(19)23)10-13-27-11-5-12-28(15-14-27)24-16-25-20-7-2-3-8-21(20)26-24/h1-4,6-9,16-17H,5,10-15H2