9-phenyl-6-thiophen-3-yl-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 9-phenyl-6-thiophen-3-yl-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: 9-phenyl-6-(3-thienyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: 9-phenyl-6-(3-thiophenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: 9-phenyl-6-thiophen-3-yl-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: 9-phenyl-6-(3-thienyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C23H20N2OS MolecularWeight: 372.4827

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=C2C(C1=O)C(NC3=CC=CC=C3N2)C4=CSC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C(C=C2C(C1=O)C(NC3=CC=CC=C3N2)C4=CSC=C4)C5=CC=CC=C5

InChI

InChI=1S/C23H20N2OS/c26-21-13-17(15-6-2-1-3-7-15)12-20-22(21)23(16-10-11-27-14-16)25-19-9-5-4-8-18(19)24-20/h1-12,14,17,22-25H,13H2