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

Systemtic Name: 2-(4-fluorophenyl)-7-piperazin-1-ylcarbonyl-1-thiophen-2-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 2-(4-fluorophenyl)-7-(piperazine-1-carbonyl)-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 2-(4-fluorophenyl)-7-[oxo(1-piperazinyl)methyl]-1-[oxo(thiophen-2-yl)methyl]-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 2-(4-fluorophenyl)-7-(piperazine-1-carbonyl)-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 2-(4-fluorophenyl)-7-(piperazine-1-carbonyl)-1-(2-thenoyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C25H23FN4O3S MolecularWeight: 478.538523

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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)C5=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)C5=CC=CS5

InChI

InChI=1S/C25H23FN4O3S/c26-18-6-3-16(4-7-18)21-15-23(31)28-19-14-17(24(32)29-11-9-27-10-12-29)5-8-20(19)30(21)25(33)22-2-1-13-34-22/h1-8,13-14,21,27H,9-12,15H2,(H,28,31)