1-benzothiophen-2-yl-[4-(6,7-dimethyl-3-phenyl-quinoxalin-2-yl)-1,4-diazepan-1-yl]methanone

Systemtic Name: 1-benzothiophen-2-yl-[4-(6,7-dimethyl-3-phenyl-quinoxalin-2-yl)-1,4-diazepan-1-yl]methanone Openeye Name: benzothiophen-2-yl-[4-(6,7-dimethyl-3-phenyl-quinoxalin-2-yl)-1,4-diazepan-1-yl]methanone CAS Name: 1-benzothiophen-2-yl-[4-(6,7-dimethyl-3-phenyl-2-quinoxalinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: 1-benzothiophen-2-yl-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone Traditional Name: benzothiophen-2-yl-[4-(6,7-dimethyl-3-phenyl-quinoxalin-2-yl)-1,4-diazepan-1-yl]methanone Formula: C30H28N4OS MolecularWeight: 492.63452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(C(=N2)C3=CC=CC=C3)N4CCCN(CC4)C(=O)C5=CC6=CC=CC=C6S5

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(C(=N2)C3=CC=CC=C3)N4CCCN(CC4)C(=O)C5=CC6=CC=CC=C6S5

InChI

InChI=1S/C30H28N4OS/c1-20-17-24-25(18-21(20)2)32-29(28(31-24)22-9-4-3-5-10-22)33-13-8-14-34(16-15-33)30(35)27-19-23-11-6-7-12-26(23)36-27/h3-7,9-12,17-19H,8,13-16H2,1-2H3