4-(4-butoxyphenyl)carbonyl-7-fluoranyl-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 4-(4-butoxyphenyl)carbonyl-7-fluoranyl-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(4-butoxybenzoyl)-7-fluoro-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-[(4-butoxyphenyl)-oxomethyl]-7-fluoro-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(4-butoxybenzoyl)-7-fluoro-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 4-(4-butoxybenzoyl)-7-fluoro-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C26H24F2N2O3 MolecularWeight: 450.477166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=C(C=C4)F)C=C(C=C3)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=C(C=C4)F)C=C(C=C3)F

InChI

InChI=1S/C26H24F2N2O3/c1-2-3-14-33-21-11-6-18(7-12-21)26(32)30-16-24(31)29-23-13-10-20(28)15-22(23)25(30)17-4-8-19(27)9-5-17/h4-13,15,25H,2-3,14,16H2,1H3,(H,29,31)