1-[6-bromanyl-5-(2-chlorophenyl)-1,3-dimethyl-2-oxidanylidene-3H-1,4-benzodiazepin-7-yl]-3-(4-oxidanylcyclohexyl)urea

Systemtic Name: 1-[6-bromanyl-5-(2-chlorophenyl)-1,3-dimethyl-2-oxidanylidene-3H-1,4-benzodiazepin-7-yl]-3-(4-oxidanylcyclohexyl)urea Openeye Name: 1-[6-bromo-5-(2-chlorophenyl)-1,3-dimethyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-3-(4-hydroxycyclohexyl)urea CAS Name: 1-[6-bromo-5-(2-chlorophenyl)-1,3-dimethyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-3-(4-hydroxycyclohexyl)urea IUPAC Name: 1-[6-bromo-5-(2-chlorophenyl)-1,3-dimethyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-3-(4-hydroxycyclohexyl)urea Traditional Name: 1-[6-bromo-5-(2-chlorophenyl)-2-keto-1,3-dimethyl-3H-1,4-benzodiazepin-7-yl]-3-(4-hydroxycyclohexyl)urea Formula: C24H26BrClN4O3 MolecularWeight: 533.84524

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(C(=C(C=C2)NC(=O)NC3CCC(CC3)O)Br)C(=N1)C4=CC=CC=C4Cl)C

Isomeric SMILES

CC1C(=O)N(C2=C(C(=C(C=C2)NC(=O)NC3CCC(CC3)O)Br)C(=N1)C4=CC=CC=C4Cl)C

InChI

InChI=1S/C24H26BrClN4O3/c1-13-23(32)30(2)19-12-11-18(29-24(33)28-14-7-9-15(31)10-8-14)21(25)20(19)22(27-13)16-5-3-4-6-17(16)26/h3-6,11-15,31H,7-10H2,1-2H3,(H2,28,29,33)