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

Systemtic Name: 11-[6-(tert-butylamino)hexanoyl]-3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-one Openeye Name: 11-[6-(tert-butylamino)hexanoyl]-3-chloro-5H-benzo[b][1,4]benzodiazepin-6-one CAS Name: 11-[6-(tert-butylamino)-1-oxohexyl]-3-chloro-5H-benzo[b][1,4]benzodiazepin-6-one IUPAC Name: 11-[6-(tert-butylamino)hexanoyl]-3-chloro-5H-benzo[b][1,4]benzodiazepin-6-one Traditional Name: 11-[6-(tert-butylamino)hexanoyl]-3-chloro-5H-benzo[b][1,4]benzodiazepin-6-one Formula: C23H28ClN3O2 MolecularWeight: 413.94032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN3O2/c1-23(2,3)25-14-8-4-5-11-21(28)27-19-10-7-6-9-17(19)22(29)26-18-15-16(24)12-13-20(18)27/h6-7,9-10,12-13,15,25H,4-5,8,11,14H2,1-3H3,(H,26,29)