3-chloranyl-11-[4-[3-(diethylamino)propylamino]butanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one

Systemtic Name: 3-chloranyl-11-[4-[3-(diethylamino)propylamino]butanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one Openeye Name: 3-chloro-11-[4-[3-(diethylamino)propylamino]butanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one CAS Name: 3-chloro-11-[4-[3-(diethylamino)propylamino]-1-oxobutyl]-5H-benzo[b][1,4]benzodiazepin-6-one IUPAC Name: 3-chloro-11-[4-[3-(diethylamino)propylamino]butanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one Traditional Name: 3-chloro-11-[4-[3-(diethylamino)propylamino]butanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one Formula: C24H31ClN4O2 MolecularWeight: 442.98154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31ClN4O2/c1-3-28(4-2)16-8-15-26-14-7-11-23(30)29-21-10-6-5-9-19(21)24(31)27-20-17-18(25)12-13-22(20)29/h5-6,9-10,12-13,17,26H,3-4,7-8,11,14-16H2,1-2H3,(H,27,31)