3-chloranyl-11-[2-(2-diethylaminoethylamino)ethanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one

Systemtic Name: 3-chloranyl-11-[2-(2-diethylaminoethylamino)ethanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one Openeye Name: 3-chloro-11-[2-(2-diethylaminoethylamino)acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one CAS Name: 3-chloro-11-[2-(2-diethylaminoethylamino)-1-oxoethyl]-5H-benzo[b][1,4]benzodiazepin-6-one IUPAC Name: 3-chloro-11-[2-(2-diethylaminoethylamino)acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one Traditional Name: 3-chloro-11-[2-(2-diethylaminoethylamino)acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one Formula: C21H25ClN4O2 MolecularWeight: 400.9018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O2/c1-3-25(4-2)12-11-23-14-20(27)26-18-8-6-5-7-16(18)21(28)24-17-13-15(22)9-10-19(17)26/h5-10,13,23H,3-4,11-12,14H2,1-2H3,(H,24,28)