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

Systemtic Name: 7-azanyl-1-butyl-9-chloranyl-5-(2-fluorophenyl)-3,3-dimethyl-1,4-benzodiazepin-2-one Openeye Name: 7-amino-1-butyl-9-chloro-5-(2-fluorophenyl)-3,3-dimethyl-1,4-benzodiazepin-2-one CAS Name: 7-amino-1-butyl-9-chloro-5-(2-fluorophenyl)-3,3-dimethyl-1,4-benzodiazepin-2-one IUPAC Name: 7-amino-1-butyl-9-chloro-5-(2-fluorophenyl)-3,3-dimethyl-1,4-benzodiazepin-2-one Traditional Name: 7-amino-1-butyl-9-chloro-5-(2-fluorophenyl)-3,3-dimethyl-1,4-benzodiazepin-2-one Formula: C21H23ClFN3O MolecularWeight: 387.878223

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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)Cl

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2C(=NC(C1=O)(C)C)C3=CC=CC=C3F)N)Cl

InChI

InChI=1S/C21H23ClFN3O/c1-4-5-10-26-19-15(11-13(24)12-16(19)22)18(25-21(2,3)20(26)27)14-8-6-7-9-17(14)23/h6-9,11-12H,4-5,10,24H2,1-3H3