9,9-dimethyl-6-thiophen-3-yl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 9,9-dimethyl-6-thiophen-3-yl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 9,9-dimethyl-6-(3-thienyl)-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 9,9-dimethyl-6-(3-thiophenyl)-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 9,9-dimethyl-6-thiophen-3-yl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 9,9-dimethyl-6-(3-thienyl)-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Formula: C19H20N2OS MolecularWeight: 324.4399

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2C(NC3=CC=CC=C3NC2=C1)C4=CSC=C4)C

Isomeric SMILES

CC1(CC(=O)C2C(NC3=CC=CC=C3NC2=C1)C4=CSC=C4)C

InChI

InChI=1S/C19H20N2OS/c1-19(2)9-15-17(16(22)10-19)18(12-7-8-23-11-12)21-14-6-4-3-5-13(14)20-15/h3-9,11,17-18,20-21H,10H2,1-2H3