4-(4-tert-butylphenyl)carbonyl-7-chloranyl-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 4-(4-tert-butylphenyl)carbonyl-7-chloranyl-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(4-tert-butylbenzoyl)-7-chloro-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-[(4-tert-butylphenyl)-oxomethyl]-7-chloro-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(4-tert-butylbenzoyl)-7-chloro-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 4-(4-tert-butylbenzoyl)-7-chloro-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C26H24ClFN2O2 MolecularWeight: 450.932363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=C(C=C4)F)C=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=C(C=C4)F)C=C(C=C3)Cl

InChI

InChI=1S/C26H24ClFN2O2/c1-26(2,3)18-8-4-17(5-9-18)25(32)30-15-23(31)29-22-13-10-19(27)14-21(22)24(30)16-6-11-20(28)12-7-16/h4-14,24H,15H2,1-3H3,(H,29,31)