propan-2-yl 4-[[4-fluoranyl-3-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate

Systemtic Name: propan-2-yl 4-[[4-fluoranyl-3-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate Openeye Name: isopropyl 4-[[4-fluoro-3-[[(6-methyl-3-pyridyl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-fluoro-3-[[[[(6-methyl-3-pyridinyl)amino]-oxomethyl]amino]methyl]phenyl]methyl]-1-piperazinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[4-fluoro-3-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[4-fluoro-3-[[(6-methyl-3-pyridyl)carbamoylamino]methyl]benzyl]piperazine-1-carboxylic acid isopropyl ester Formula: C23H30FN5O3 MolecularWeight: 443.514403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)NC(=O)NCC2=C(C=CC(=C2)CN3CCN(CC3)C(=O)OC(C)C)F

Isomeric SMILES

CC1=NC=C(C=C1)NC(=O)NCC2=C(C=CC(=C2)CN3CCN(CC3)C(=O)OC(C)C)F

InChI

InChI=1S/C23H30FN5O3/c1-16(2)32-23(31)29-10-8-28(9-11-29)15-18-5-7-21(24)19(12-18)13-26-22(30)27-20-6-4-17(3)25-14-20/h4-7,12,14,16H,8-11,13,15H2,1-3H3,(H2,26,27,30)