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

Systemtic Name: 4-fluoranyl-N-[2-[4-(2-phenylethanoyl)-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]benzamide Openeye Name: 4-fluoro-N-[2-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide CAS Name: 4-fluoro-N-[2-[4-(1-oxo-2-phenylethyl)-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]benzamide IUPAC Name: 4-fluoro-N-[2-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide Traditional Name: 4-fluoro-N-[2-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide Formula: C31H34FN5O3 MolecularWeight: 543.631763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=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)CC2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C31H34FN5O3/c32-26-10-7-24(8-11-26)30(39)34-27-22-25(31(40)37-17-13-33-14-18-37)9-12-28(27)35-15-4-16-36(20-19-35)29(38)21-23-5-2-1-3-6-23/h1-3,5-12,22,33H,4,13-21H2,(H,34,39)