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

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

Systemtic Name:11-[6-(butan-2-ylamino)hexanoyl]-3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-one
Openeye Name:3-chloro-11-[6-(sec-butylamino)hexanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one
CAS Name:11-[6-(butan-2-ylamino)-1-oxohexyl]-3-chloro-5H-benzo[b][1,4]benzodiazepin-6-one
IUPAC Name:11-[6-(butan-2-ylamino)hexanoyl]-3-chloro-5H-benzo[b][1,4]benzodiazepin-6-one
Traditional Name:3-chloro-11-[6-(sec-butylamino)hexanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one
Formula: C23H28ClN3O2
MolecularWeight: 413.94032
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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