N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]-3-fluoranyl-benzamide

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]-3-fluoranyl-benzamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-3-fluoro-benzamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]-3-fluorobenzamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-3-fluorobenzamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(2-thenoyl)piperazino]phenyl]-3-fluoro-benzamide Formula: C28H30FN5O3S MolecularWeight: 535.632903

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)NC(=O)C5=CC(=CC=C5)F

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)NC(=O)C5=CC(=CC=C5)F

InChI

InChI=1S/C28H30FN5O3S/c29-22-5-1-4-20(18-22)26(35)31-23-19-21(27(36)33-11-3-9-30-10-12-33)7-8-24(23)32-13-15-34(16-14-32)28(37)25-6-2-17-38-25/h1-2,4-8,17-19,30H,3,9-16H2,(H,31,35)