(6R,6aR)-6-(3-bromophenyl)-5-butanoyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: (6R,6aR)-6-(3-bromophenyl)-5-butanoyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: (6R,6aR)-6-(3-bromophenyl)-5-butanoyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: (6R,6aR)-6-(3-bromophenyl)-5-(1-oxobutyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: (6R,6aR)-6-(3-bromophenyl)-5-butanoyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: (6R,6aR)-6-(3-bromophenyl)-5-butyryl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C23H23BrN2O2 MolecularWeight: 439.34492

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(C2C(=O)CCC=C2NC3=CC=CC=C31)C4=CC(=CC=C4)Br

Isomeric SMILES

CCCC(=O)N1[C@H]([C@H]2C(=O)CCC=C2NC3=CC=CC=C31)C4=CC(=CC=C4)Br

InChI

InChI=1S/C23H23BrN2O2/c1-2-7-21(28)26-19-12-4-3-10-17(19)25-18-11-6-13-20(27)22(18)23(26)15-8-5-9-16(24)14-15/h3-5,8-12,14,22-23,25H,2,6-7,13H2,1H3/t22-,23+/m1/s1