7-(butylamino)-9-chloranyl-5-(2-fluorophenyl)-1,3,3-trimethyl-1,4-benzodiazepin-2-one

Systemtic Name: 7-(butylamino)-9-chloranyl-5-(2-fluorophenyl)-1,3,3-trimethyl-1,4-benzodiazepin-2-one Openeye Name: 7-(butylamino)-9-chloro-5-(2-fluorophenyl)-1,3,3-trimethyl-1,4-benzodiazepin-2-one CAS Name: 7-(butylamino)-9-chloro-5-(2-fluorophenyl)-1,3,3-trimethyl-1,4-benzodiazepin-2-one IUPAC Name: 7-(butylamino)-9-chloro-5-(2-fluorophenyl)-1,3,3-trimethyl-1,4-benzodiazepin-2-one Traditional Name: 7-(butylamino)-9-chloro-5-(2-fluorophenyl)-1,3,3-trimethyl-1,4-benzodiazepin-2-one Formula: C22H25ClFN3O MolecularWeight: 401.904803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC(=C2C(=C1)C(=NC(C(=O)N2C)(C)C)C3=CC=CC=C3F)Cl

Isomeric SMILES

CCCCNC1=CC(=C2C(=C1)C(=NC(C(=O)N2C)(C)C)C3=CC=CC=C3F)Cl

InChI

InChI=1S/C22H25ClFN3O/c1-5-6-11-25-14-12-16-19(15-9-7-8-10-18(15)24)26-22(2,3)21(28)27(4)20(16)17(23)13-14/h7-10,12-13,25H,5-6,11H2,1-4H3