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

Systemtic Name: 3-chloranyl-11-[6-(cyclohexylamino)hexanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one Openeye Name: 3-chloro-11-[6-(cyclohexylamino)hexanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one CAS Name: 3-chloro-11-[6-(cyclohexylamino)-1-oxohexyl]-5H-benzo[b][1,4]benzodiazepin-6-one IUPAC Name: 3-chloro-11-[6-(cyclohexylamino)hexanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one Traditional Name: 3-chloro-11-[6-(cyclohexylamino)hexanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one Formula: C25H30ClN3O2 MolecularWeight: 439.9776

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCCCCCC(=O)N2C3=C(C=C(C=C3)Cl)NC(=O)C4=CC=CC=C42

Isomeric SMILES

C1CCC(CC1)NCCCCCC(=O)N2C3=C(C=C(C=C3)Cl)NC(=O)C4=CC=CC=C42

InChI

InChI=1S/C25H30ClN3O2/c26-18-14-15-23-21(17-18)28-25(31)20-11-6-7-12-22(20)29(23)24(30)13-5-2-8-16-27-19-9-3-1-4-10-19/h6-7,11-12,14-15,17,19,27H,1-5,8-10,13,16H2,(H,28,31)