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

Systemtic Name: 3-chloranyl-11-[6-(methylamino)hexanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one Openeye Name: 3-chloro-11-[6-(methylamino)hexanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one CAS Name: 3-chloro-11-[6-(methylamino)-1-oxohexyl]-5H-benzo[b][1,4]benzodiazepin-6-one IUPAC Name: 3-chloro-11-[6-(methylamino)hexanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one Traditional Name: 3-chloro-11-[6-(methylamino)hexanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one Formula: C20H22ClN3O2 MolecularWeight: 371.86058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O2/c1-22-12-6-2-3-9-19(25)24-17-8-5-4-7-15(17)20(26)23-16-13-14(21)10-11-18(16)24/h4-5,7-8,10-11,13,22H,2-3,6,9,12H2,1H3,(H,23,26)