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

Systemtic Name: 3-fluoranyl-N-[5-piperazin-1-ylcarbonyl-2-(4-pyridin-3-ylcarbonyl-1,4-diazepan-1-yl)phenyl]benzamide Openeye Name: 3-fluoro-N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]phenyl]benzamide CAS Name: 3-fluoro-N-[5-[oxo(1-piperazinyl)methyl]-2-[4-[oxo(3-pyridinyl)methyl]-1,4-diazepan-1-yl]phenyl]benzamide IUPAC Name: 3-fluoro-N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]phenyl]benzamide Traditional Name: 3-fluoro-N-[2-(4-nicotinoyl-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=CN=CC=C2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC(=CC=C5)F

Isomeric SMILES

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

InChI

InChI=1S/C29H31FN6O3/c30-24-6-1-4-21(18-24)27(37)33-25-19-22(28(38)36-14-10-31-11-15-36)7-8-26(25)34-12-3-13-35(17-16-34)29(39)23-5-2-9-32-20-23/h1-2,4-9,18-20,31H,3,10-17H2,(H,33,37)