3-chloranyl-11-[6-(cyclopropylamino)hexanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one

Systemtic Name: 3-chloranyl-11-[6-(cyclopropylamino)hexanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one Openeye Name: 3-chloro-11-[6-(cyclopropylamino)hexanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one CAS Name: 3-chloro-11-[6-(cyclopropylamino)-1-oxohexyl]-5H-benzo[b][1,4]benzodiazepin-6-one IUPAC Name: 3-chloro-11-[6-(cyclopropylamino)hexanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one Traditional Name: 3-chloro-11-[6-(cyclopropylamino)hexanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one Formula: C22H24ClN3O2 MolecularWeight: 397.89786

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NCCCCCC(=O)N2C3=C(C=C(C=C3)Cl)NC(=O)C4=CC=CC=C42

Isomeric SMILES

C1CC1NCCCCCC(=O)N2C3=C(C=C(C=C3)Cl)NC(=O)C4=CC=CC=C42

InChI

InChI=1S/C22H24ClN3O2/c23-15-9-12-20-18(14-15)25-22(28)17-6-3-4-7-19(17)26(20)21(27)8-2-1-5-13-24-16-10-11-16/h3-4,6-7,9,12,14,16,24H,1-2,5,8,10-11,13H2,(H,25,28)