1-[6-chloranyl-3-ethyl-5-(2-fluorophenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-7-yl]-3-(2-hydroxyethyl)urea

Systemtic Name: 1-[6-chloranyl-3-ethyl-5-(2-fluorophenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-7-yl]-3-(2-hydroxyethyl)urea Openeye Name: 1-[6-chloro-3-ethyl-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-3-(2-hydroxyethyl)urea CAS Name: 1-[6-chloro-3-ethyl-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-3-(2-hydroxyethyl)urea IUPAC Name: 1-[6-chloro-3-ethyl-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-3-(2-hydroxyethyl)urea Traditional Name: 1-[6-chloro-3-ethyl-5-(2-fluorophenyl)-2-keto-1-methyl-3H-1,4-benzodiazepin-7-yl]-3-(2-hydroxyethyl)urea Formula: C21H22ClFN4O3 MolecularWeight: 432.875783

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(C(=C(C=C2)NC(=O)NCCO)Cl)C(=N1)C3=CC=CC=C3F)C

Isomeric SMILES

CCC1C(=O)N(C2=C(C(=C(C=C2)NC(=O)NCCO)Cl)C(=N1)C3=CC=CC=C3F)C

InChI

InChI=1S/C21H22ClFN4O3/c1-3-14-20(29)27(2)16-9-8-15(26-21(30)24-10-11-28)18(22)17(16)19(25-14)12-6-4-5-7-13(12)23/h4-9,14,28H,3,10-11H2,1-2H3,(H2,24,26,30)