9-phenyl-6-thiophen-2-yl-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 9-phenyl-6-thiophen-2-yl-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: 9-phenyl-6-(2-thienyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: 9-phenyl-6-thiophen-2-yl-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: 9-phenyl-6-thiophen-2-yl-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: 9-phenyl-6-(2-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=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1C(C=C2C(C1=O)C(NC3=CC=CC=C3N2)C4=CC=CS4)C5=CC=CC=C5

InChI

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