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

Systemtic Name: 4-fluoranyl-N-[5-piperazin-1-ylcarbonyl-2-(4-pyridin-4-ylcarbonyl-1,4-diazepan-1-yl)phenyl]benzamide Openeye Name: 4-fluoro-N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]benzamide CAS Name: 4-fluoro-N-[5-[oxo(1-piperazinyl)methyl]-2-[4-[oxo(pyridin-4-yl)methyl]-1,4-diazepan-1-yl]phenyl]benzamide IUPAC Name: 4-fluoro-N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]benzamide Traditional Name: 4-fluoro-N-[2-(4-isonicotinoyl-1,4-diazepan-1-yl)-5-(piperazine-1-carbonyl)phenyl]benzamide Formula: C29H31FN6O3 MolecularWeight: 530.593243

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H31FN6O3/c30-24-5-2-21(3-6-24)27(37)33-25-20-23(29(39)36-16-12-32-13-17-36)4-7-26(25)34-14-1-15-35(19-18-34)28(38)22-8-10-31-11-9-22/h2-11,20,32H,1,12-19H2,(H,33,37)