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

Systemtic Name: 6-(3-iodanylphenyl)-9,9-dimethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 6-(3-iodophenyl)-9,9-dimethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 6-(3-iodophenyl)-9,9-dimethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 6-(3-iodophenyl)-9,9-dimethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 6-(3-iodophenyl)-9,9-dimethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Formula: C21H21IN2O MolecularWeight: 444.30871

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21IN2O/c1-21(2)11-17-19(18(25)12-21)20(13-6-5-7-14(22)10-13)24-16-9-4-3-8-15(16)23-17/h3-11,19-20,23-24H,12H2,1-2H3