1-benzothiophen-2-yl-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone

Systemtic Name: 1-benzothiophen-2-yl-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone Openeye Name: benzothiophen-2-yl-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone CAS Name: 1-benzothiophen-2-yl-[4-(3-phenyl-2-quinoxalinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: 1-benzothiophen-2-yl-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone Traditional Name: benzothiophen-2-yl-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone Formula: C28H24N4OS MolecularWeight: 464.58136

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=CC=CC=C3S2)C4=NC5=CC=CC=C5N=C4C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=CC=CC=C3S2)C4=NC5=CC=CC=C5N=C4C6=CC=CC=C6

InChI

InChI=1S/C28H24N4OS/c33-28(25-19-21-11-4-7-14-24(21)34-25)32-16-8-15-31(17-18-32)27-26(20-9-2-1-3-10-20)29-22-12-5-6-13-23(22)30-27/h1-7,9-14,19H,8,15-18H2