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

Systemtic Name: 3-chloranyl-11-(4-morpholin-4-ylbutanoyl)-5H-benzo[b][1,4]benzodiazepin-6-one Openeye Name: 3-chloro-11-(4-morpholinobutanoyl)-5H-benzo[b][1,4]benzodiazepin-6-one CAS Name: 3-chloro-11-[4-(4-morpholinyl)-1-oxobutyl]-5H-benzo[b][1,4]benzodiazepin-6-one IUPAC Name: 3-chloro-11-(4-morpholin-4-ylbutanoyl)-5H-benzo[b][1,4]benzodiazepin-6-one Traditional Name: 3-chloro-11-(4-morpholinobutanoyl)-5H-benzo[b][1,4]benzodiazepin-6-one Formula: C21H22ClN3O3 MolecularWeight: 399.87068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCC(=O)N2C3=C(C=C(C=C3)Cl)NC(=O)C4=CC=CC=C42

Isomeric SMILES

C1COCCN1CCCC(=O)N2C3=C(C=C(C=C3)Cl)NC(=O)C4=CC=CC=C42

InChI

InChI=1S/C21H22ClN3O3/c22-15-7-8-19-17(14-15)23-21(27)16-4-1-2-5-18(16)25(19)20(26)6-3-9-24-10-12-28-13-11-24/h1-2,4-5,7-8,14H,3,6,9-13H2,(H,23,27)