2-[3-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]propanoylamino]-N-phenyl-benzamide

Systemtic Name: 2-[3-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]propanoylamino]-N-phenyl-benzamide Openeye Name: 2-[3-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]propanoylamino]-N-phenyl-benzamide CAS Name: 2-[[3-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-1-oxopropyl]amino]-N-phenylbenzamide IUPAC Name: 2-[3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propanoylamino]-N-phenylbenzamide Traditional Name: 2-[3-[4-(3-fluoro-4-methoxy-benzyl)piperazino]propanoylamino]-N-phenyl-benzamide Formula: C28H31FN4O3 MolecularWeight: 490.569143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CCC(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CCC(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC=C4)F

InChI

InChI=1S/C28H31FN4O3/c1-36-26-12-11-21(19-24(26)29)20-33-17-15-32(16-18-33)14-13-27(34)31-25-10-6-5-9-23(25)28(35)30-22-7-3-2-4-8-22/h2-12,19H,13-18,20H2,1H3,(H,30,35)(H,31,34)