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

Systemtic Name: 4-fluoranyl-N-[2-[4-(phenylcarbonyl)-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]benzamide Openeye Name: N-[2-(4-benzoyl-1,4-diazepan-1-yl)-5-(piperazine-1-carbonyl)phenyl]-4-fluoro-benzamide CAS Name: N-[2-(4-benzoyl-1,4-diazepan-1-yl)-5-[oxo(1-piperazinyl)methyl]phenyl]-4-fluorobenzamide IUPAC Name: N-[2-(4-benzoyl-1,4-diazepan-1-yl)-5-(piperazine-1-carbonyl)phenyl]-4-fluorobenzamide Traditional Name: N-[2-(4-benzoyl-1,4-diazepan-1-yl)-5-(piperazine-1-carbonyl)phenyl]-4-fluoro-benzamide Formula: C30H32FN5O3 MolecularWeight: 529.605183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C30H32FN5O3/c31-25-10-7-22(8-11-25)28(37)33-26-21-24(30(39)36-17-13-32-14-18-36)9-12-27(26)34-15-4-16-35(20-19-34)29(38)23-5-2-1-3-6-23/h1-3,5-12,21,32H,4,13-20H2,(H,33,37)