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

Systemtic Name: 7-bromanyl-4-(4-butoxyphenyl)carbonyl-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 7-bromo-4-(4-butoxybenzoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 7-bromo-4-[(4-butoxyphenyl)-oxomethyl]-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 7-bromo-4-(4-butoxybenzoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-bromo-4-(4-butoxybenzoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C26H24BrFN2O3 MolecularWeight: 511.382763

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C26H24BrFN2O3/c1-2-3-14-33-21-11-6-18(7-12-21)26(32)30-16-24(31)29-23-13-8-19(27)15-22(23)25(30)17-4-9-20(28)10-5-17/h4-13,15,25H,2-3,14,16H2,1H3,(H,29,31)