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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-morpholin-4-ylcarbonylpiperazin-1-yl)phenyl]-4-fluoranyl-benzamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]phenyl]-4-fluoro-benzamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[4-morpholinyl(oxo)methyl]-1-piperazinyl]phenyl]-4-fluorobenzamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]phenyl]-4-fluorobenzamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(morpholine-4-carbonyl)piperazino]phenyl]-4-fluoro-benzamide Formula: C28H35FN6O4 MolecularWeight: 538.613703

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)N4CCOCC4)NC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)N4CCOCC4)NC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H35FN6O4/c29-23-5-2-21(3-6-23)26(36)31-24-20-22(27(37)33-10-1-8-30-9-11-33)4-7-25(24)32-12-14-34(15-13-32)28(38)35-16-18-39-19-17-35/h2-7,20,30H,1,8-19H2,(H,31,36)