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

Systemtic Name: 3,5-bis(fluoranyl)-N-[5-piperazin-1-ylcarbonyl-2-(4-pyridin-4-ylcarbonyl-1,4-diazepan-1-yl)phenyl]benzamide Openeye Name: 3,5-difluoro-N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]benzamide CAS Name: 3,5-difluoro-N-[5-[oxo(1-piperazinyl)methyl]-2-[4-[oxo(pyridin-4-yl)methyl]-1,4-diazepan-1-yl]phenyl]benzamide IUPAC Name: 3,5-difluoro-N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]benzamide Traditional Name: 3,5-difluoro-N-[2-(4-isonicotinoyl-1,4-diazepan-1-yl)-5-(piperazine-1-carbonyl)phenyl]benzamide Formula: C29H30F2N6O3 MolecularWeight: 548.583706

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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(=CC(=C5)F)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(=CC(=C5)F)F

InChI

InChI=1S/C29H30F2N6O3/c30-23-16-22(17-24(31)19-23)27(38)34-25-18-21(29(40)37-12-8-33-9-13-37)2-3-26(25)35-10-1-11-36(15-14-35)28(39)20-4-6-32-7-5-20/h2-7,16-19,33H,1,8-15H2,(H,34,38)