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

Systemtic Name: N-[2-(4-cyclobutylcarbonyl-1,4-diazepan-1-yl)-5-piperazin-1-ylcarbonyl-phenyl]-3-fluoranyl-benzamide Openeye Name: N-[2-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3-fluoro-benzamide CAS Name: N-[2-[4-[cyclobutyl(oxo)methyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]-3-fluorobenzamide IUPAC Name: N-[2-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3-fluorobenzamide Traditional Name: N-[2-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3-fluoro-benzamide Formula: C28H34FN5O3 MolecularWeight: 507.599663

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC(=CC=C5)F

Isomeric SMILES

C1CC(C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC(=CC=C5)F

InChI

InChI=1S/C28H34FN5O3/c29-23-7-2-6-21(18-23)26(35)31-24-19-22(28(37)34-14-10-30-11-15-34)8-9-25(24)32-12-3-13-33(17-16-32)27(36)20-4-1-5-20/h2,6-9,18-20,30H,1,3-5,10-17H2,(H,31,35)