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

Systemtic Name: 3-(cyclohexylcarbamoylamino)-4-[4-[(4-fluorophenyl)-pyridin-4-yl-methyl]piperazin-1-yl]benzamide Openeye Name: 3-(cyclohexylcarbamoylamino)-4-[4-[(4-fluorophenyl)-(4-pyridyl)methyl]piperazin-1-yl]benzamide CAS Name: 3-[[(cyclohexylamino)-oxomethyl]amino]-4-[4-[(4-fluorophenyl)-pyridin-4-ylmethyl]-1-piperazinyl]benzamide IUPAC Name: 3-(cyclohexylcarbamoylamino)-4-[4-[(4-fluorophenyl)-pyridin-4-ylmethyl]piperazin-1-yl]benzamide Traditional Name: 3-(cyclohexylcarbamoylamino)-4-[4-[(4-fluorophenyl)-(4-pyridyl)methyl]piperazino]benzamide Formula: C30H35FN6O2 MolecularWeight: 530.636303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC2=C(C=CC(=C2)C(=O)N)N3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=NC=C5

Isomeric SMILES

C1CCC(CC1)NC(=O)NC2=C(C=CC(=C2)C(=O)N)N3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=NC=C5

InChI

InChI=1S/C30H35FN6O2/c31-24-9-6-21(7-10-24)28(22-12-14-33-15-13-22)37-18-16-36(17-19-37)27-11-8-23(29(32)38)20-26(27)35-30(39)34-25-4-2-1-3-5-25/h6-15,20,25,28H,1-5,16-19H2,(H2,32,38)(H2,34,35,39)