1-[6-bromanyl-5-(2-chlorophenyl)-1,3,3-trimethyl-2-oxidanylidene-1,4-benzodiazepin-7-yl]-3-(2-hydroxyethyl)urea

Systemtic Name: 1-[6-bromanyl-5-(2-chlorophenyl)-1,3,3-trimethyl-2-oxidanylidene-1,4-benzodiazepin-7-yl]-3-(2-hydroxyethyl)urea Openeye Name: 1-[6-bromo-5-(2-chlorophenyl)-1,3,3-trimethyl-2-oxo-1,4-benzodiazepin-7-yl]-3-(2-hydroxyethyl)urea CAS Name: 1-[6-bromo-5-(2-chlorophenyl)-1,3,3-trimethyl-2-oxo-1,4-benzodiazepin-7-yl]-3-(2-hydroxyethyl)urea IUPAC Name: 1-[6-bromo-5-(2-chlorophenyl)-1,3,3-trimethyl-2-oxo-1,4-benzodiazepin-7-yl]-3-(2-hydroxyethyl)urea Traditional Name: 1-[6-bromo-5-(2-chlorophenyl)-2-keto-1,3,3-trimethyl-1,4-benzodiazepin-7-yl]-3-(2-hydroxyethyl)urea Formula: C21H22BrClN4O3 MolecularWeight: 493.78138

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C2=C(C(=C(C=C2)NC(=O)NCCO)Br)C(=N1)C3=CC=CC=C3Cl)C)C

Isomeric SMILES

CC1(C(=O)N(C2=C(C(=C(C=C2)NC(=O)NCCO)Br)C(=N1)C3=CC=CC=C3Cl)C)C

InChI

InChI=1S/C21H22BrClN4O3/c1-21(2)19(29)27(3)15-9-8-14(25-20(30)24-10-11-28)17(22)16(15)18(26-21)12-6-4-5-7-13(12)23/h4-9,28H,10-11H2,1-3H3,(H2,24,25,30)