4-[4-[(4-fluorophenyl)-pyridin-4-yl-methyl]piperazin-1-yl]-3-(phenylcarbonylcarbamoylamino)benzamide

Systemtic Name: 4-[4-[(4-fluorophenyl)-pyridin-4-yl-methyl]piperazin-1-yl]-3-(phenylcarbonylcarbamoylamino)benzamide Openeye Name: 3-(benzoylcarbamoylamino)-4-[4-[(4-fluorophenyl)-(4-pyridyl)methyl]piperazin-1-yl]benzamide CAS Name: 3-[[benzamido(oxo)methyl]amino]-4-[4-[(4-fluorophenyl)-pyridin-4-ylmethyl]-1-piperazinyl]benzamide IUPAC Name: 3-(benzoylcarbamoylamino)-4-[4-[(4-fluorophenyl)-pyridin-4-ylmethyl]piperazin-1-yl]benzamide Traditional Name: 3-(benzoylcarbamoylamino)-4-[4-[(4-fluorophenyl)-(4-pyridyl)methyl]piperazino]benzamide Formula: C31H29FN6O3 MolecularWeight: 552.598763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)N)NC(=O)NC(=O)C3=CC=CC=C3)C(C4=CC=C(C=C4)F)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)N)NC(=O)NC(=O)C3=CC=CC=C3)C(C4=CC=C(C=C4)F)C5=CC=NC=C5

InChI

InChI=1S/C31H29FN6O3/c32-25-9-6-21(7-10-25)28(22-12-14-34-15-13-22)38-18-16-37(17-19-38)27-11-8-24(29(33)39)20-26(27)35-31(41)36-30(40)23-4-2-1-3-5-23/h1-15,20,28H,16-19H2,(H2,33,39)(H2,35,36,40,41)