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

Systemtic Name: 6-(6-bromanyl-1,3-benzodioxol-5-yl)-9,9-dimethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 6-(6-bromo-1,3-benzodioxol-5-yl)-9,9-dimethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 6-(6-bromo-1,3-benzodioxol-5-yl)-9,9-dimethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 6-(6-bromo-1,3-benzodioxol-5-yl)-9,9-dimethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 6-(6-bromo-1,3-benzodioxol-5-yl)-9,9-dimethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Formula: C22H21BrN2O3 MolecularWeight: 441.31774

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2C(NC3=CC=CC=C3NC2=C1)C4=CC5=C(C=C4Br)OCO5)C

Isomeric SMILES

CC1(CC(=O)C2C(NC3=CC=CC=C3NC2=C1)C4=CC5=C(C=C4Br)OCO5)C

InChI

InChI=1S/C22H21BrN2O3/c1-22(2)9-16-20(17(26)10-22)21(25-15-6-4-3-5-14(15)24-16)12-7-18-19(8-13(12)23)28-11-27-18/h3-9,20-21,24-25H,10-11H2,1-2H3