1-(7-chloranyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethyl-ethyl-carbamic acid

Systemtic Name: 1-(7-chloranyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethyl-ethyl-carbamic acid Openeye Name: 1-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethyl-ethyl-carbamic acid CAS Name: 1-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethyl-ethylcarbamic acid IUPAC Name: 1-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethyl-ethylcarbamic acid Traditional Name: 1-(7-chloro-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethyl-ethyl-carbamic acid Formula: C20H20ClN3O3 MolecularWeight: 385.8441

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(C)N1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCN(C(C)N1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H20ClN3O3/c1-3-23(20(26)27)13(2)24-17-10-9-15(21)11-16(17)19(22-12-18(24)25)14-7-5-4-6-8-14/h4-11,13H,3,12H2,1-2H3,(H,26,27)