4-tert-butyl-7-chloranyl-2-methoxy-3H-1,4-benzodiazepin-5-one

Systemtic Name: 4-tert-butyl-7-chloranyl-2-methoxy-3H-1,4-benzodiazepin-5-one Openeye Name: 4-tert-butyl-7-chloro-2-methoxy-3H-1,4-benzodiazepin-5-one CAS Name: 4-tert-butyl-7-chloro-2-methoxy-3H-1,4-benzodiazepin-5-one IUPAC Name: 4-tert-butyl-7-chloro-2-methoxy-3H-1,4-benzodiazepin-5-one Traditional Name: 4-tert-butyl-7-chloro-2-methoxy-3H-1,4-benzodiazepin-5-one Formula: C14H17ClN2O2 MolecularWeight: 280.74998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CC(=NC2=C(C1=O)C=C(C=C2)Cl)OC

Isomeric SMILES

CC(C)(C)N1CC(=NC2=C(C1=O)C=C(C=C2)Cl)OC

InChI

InChI=1S/C14H17ClN2O2/c1-14(2,3)17-8-12(19-4)16-11-6-5-9(15)7-10(11)13(17)18/h5-7H,8H2,1-4H3