2-fluoranyl-N-[6-[4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]benzamide

Systemtic Name: 2-fluoranyl-N-[6-[4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Openeye Name: 2-fluoro-N-[6-[4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]benzamide CAS Name: 2-fluoro-N-[6-[4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]benzamide IUPAC Name: 2-fluoro-N-[6-[4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Traditional Name: 2-fluoro-N-[6-[4-(2-nitrobenzyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide Formula: C24H24FN5O3 MolecularWeight: 449.477463

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=C(C=C2)NC(=O)C3=CC=CC=C3F)CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C2=NC=C(C=C2)NC(=O)C3=CC=CC=C3F)CC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C24H24FN5O3/c25-21-8-3-2-7-20(21)24(31)27-19-10-11-23(26-16-19)29-13-5-12-28(14-15-29)17-18-6-1-4-9-22(18)30(32)33/h1-4,6-11,16H,5,12-15,17H2,(H,27,31)