7-(1,4-diazepan-1-ylcarbonyl)-2-(4-fluorophenyl)-1-thiophen-2-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one

Systemtic Name: 7-(1,4-diazepan-1-ylcarbonyl)-2-(4-fluorophenyl)-1-thiophen-2-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 7-(1,4-diazepane-1-carbonyl)-2-(4-fluorophenyl)-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 7-[1,4-diazepan-1-yl(oxo)methyl]-2-(4-fluorophenyl)-1-[oxo(thiophen-2-yl)methyl]-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 7-(1,4-diazepane-1-carbonyl)-2-(4-fluorophenyl)-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 7-(1,4-diazepane-1-carbonyl)-2-(4-fluorophenyl)-1-(2-thenoyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C26H25FN4O3S MolecularWeight: 492.565103

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC3=C(C=C2)N(C(CC(=O)N3)C4=CC=C(C=C4)F)C(=O)C5=CC=CS5

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC3=C(C=C2)N(C(CC(=O)N3)C4=CC=C(C=C4)F)C(=O)C5=CC=CS5

InChI

InChI=1S/C26H25FN4O3S/c27-19-7-4-17(5-8-19)22-16-24(32)29-20-15-18(25(33)30-12-2-10-28-11-13-30)6-9-21(20)31(22)26(34)23-3-1-14-35-23/h1,3-9,14-15,22,28H,2,10-13,16H2,(H,29,32)