6-(3-bromophenyl)-5-propanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 6-(3-bromophenyl)-5-propanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 6-(3-bromophenyl)-5-propanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 6-(3-bromophenyl)-5-(1-oxopropyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 6-(3-bromophenyl)-5-propanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 6-(3-bromophenyl)-5-propionyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C22H21BrN2O2 MolecularWeight: 425.31834

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(C2=C(CCCC2=O)NC3=CC=CC=C31)C4=CC(=CC=C4)Br

Isomeric SMILES

CCC(=O)N1C(C2=C(CCCC2=O)NC3=CC=CC=C31)C4=CC(=CC=C4)Br

InChI

InChI=1S/C22H21BrN2O2/c1-2-20(27)25-18-11-4-3-9-16(18)24-17-10-6-12-19(26)21(17)22(25)14-7-5-8-15(23)13-14/h3-5,7-9,11,13,22,24H,2,6,10,12H2,1H3