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

Systemtic Name: N-[2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-4-fluoranyl-benzamide Openeye Name: N-[2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]-4-fluoro-benzamide CAS Name: N-[2-[4-(3,3-dimethyl-1-oxobutyl)-1-piperazinyl]-5-[oxo(1-piperazinyl)methyl]phenyl]-4-fluorobenzamide IUPAC Name: N-[2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]-4-fluorobenzamide Traditional Name: N-[2-[4-(3,3-dimethylbutanoyl)piperazino]-5-(piperazine-1-carbonyl)phenyl]-4-fluoro-benzamide Formula: C28H36FN5O3 MolecularWeight: 509.615543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCNCC3)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCNCC3)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H36FN5O3/c1-28(2,3)19-25(35)33-16-14-32(15-17-33)24-9-6-21(27(37)34-12-10-30-11-13-34)18-23(24)31-26(36)20-4-7-22(29)8-5-20/h4-9,18,30H,10-17,19H2,1-3H3,(H,31,36)