1-butyl-9-chloranyl-5-(2-fluorophenyl)-3,3-dimethyl-7-nitro-1,4-benzodiazepin-2-one

Systemtic Name: 1-butyl-9-chloranyl-5-(2-fluorophenyl)-3,3-dimethyl-7-nitro-1,4-benzodiazepin-2-one Openeye Name: 1-butyl-9-chloro-5-(2-fluorophenyl)-3,3-dimethyl-7-nitro-1,4-benzodiazepin-2-one CAS Name: 1-butyl-9-chloro-5-(2-fluorophenyl)-3,3-dimethyl-7-nitro-1,4-benzodiazepin-2-one IUPAC Name: 1-butyl-9-chloro-5-(2-fluorophenyl)-3,3-dimethyl-7-nitro-1,4-benzodiazepin-2-one Traditional Name: 1-butyl-9-chloro-5-(2-fluorophenyl)-3,3-dimethyl-7-nitro-1,4-benzodiazepin-2-one Formula: C21H21ClFN3O3 MolecularWeight: 417.861143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2C(=NC(C1=O)(C)C)C3=CC=CC=C3F)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2C(=NC(C1=O)(C)C)C3=CC=CC=C3F)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H21ClFN3O3/c1-4-5-10-25-19-15(11-13(26(28)29)12-16(19)22)18(24-21(2,3)20(25)27)14-8-6-7-9-17(14)23/h6-9,11-12H,4-5,10H2,1-3H3