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

Systemtic Name: 2-(4-fluorophenyl)-7-piperazin-1-ylcarbonyl-1-(2-thiophen-2-ylethanoyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 2-(4-fluorophenyl)-7-(piperazine-1-carbonyl)-1-[2-(2-thienyl)acetyl]-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 2-(4-fluorophenyl)-7-[oxo(1-piperazinyl)methyl]-1-(1-oxo-2-thiophen-2-ylethyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 2-(4-fluorophenyl)-7-(piperazine-1-carbonyl)-1-(2-thiophen-2-ylacetyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 2-(4-fluorophenyl)-7-(piperazine-1-carbonyl)-1-[2-(2-thienyl)acetyl]-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C26H25FN4O3S MolecularWeight: 492.565103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC3=C(C=C2)N(C(CC(=O)N3)C4=CC=C(C=C4)F)C(=O)CC5=CC=CS5

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC3=C(C=C2)N(C(CC(=O)N3)C4=CC=C(C=C4)F)C(=O)CC5=CC=CS5

InChI

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