3-chloranyl-11-[6-(propan-2-ylamino)hexanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one

Systemtic Name: 3-chloranyl-11-[6-(propan-2-ylamino)hexanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one Openeye Name: 3-chloro-11-[6-(isopropylamino)hexanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one CAS Name: 3-chloro-11-[1-oxo-6-(propan-2-ylamino)hexyl]-5H-benzo[b][1,4]benzodiazepin-6-one IUPAC Name: 3-chloro-11-[6-(propan-2-ylamino)hexanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one Traditional Name: 3-chloro-11-[6-(isopropylamino)hexanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one Formula: C22H26ClN3O2 MolecularWeight: 399.91374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCCCCCC(=O)N1C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=CC=C31

Isomeric SMILES

CC(C)NCCCCCC(=O)N1C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=CC=C31

InChI

InChI=1S/C22H26ClN3O2/c1-15(2)24-13-7-3-4-10-21(27)26-19-9-6-5-8-17(19)22(28)25-18-14-16(23)11-12-20(18)26/h5-6,8-9,11-12,14-15,24H,3-4,7,10,13H2,1-2H3,(H,25,28)