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

Systemtic Name: methyl 4-[2-fluoranyl-3-[1-[(6-methylpyridin-3-yl)carbamoylamino]propyl]phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[2-fluoro-3-[1-[(6-methyl-3-pyridyl)carbamoylamino]propyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[2-fluoro-3-[1-[[[(6-methyl-3-pyridinyl)amino]-oxomethyl]amino]propyl]phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-fluoro-3-[1-[(6-methylpyridin-3-yl)carbamoylamino]propyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-fluoro-3-[1-[(6-methyl-3-pyridyl)carbamoylamino]propyl]phenyl]piperazine-1-carboxylic acid methyl ester Formula: C22H28FN5O3 MolecularWeight: 429.487823

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=CC=C1)N2CCN(CC2)C(=O)OC)F)NC(=O)NC3=CN=C(C=C3)C

Isomeric SMILES

CCC(C1=C(C(=CC=C1)N2CCN(CC2)C(=O)OC)F)NC(=O)NC3=CN=C(C=C3)C

InChI

InChI=1S/C22H28FN5O3/c1-4-18(26-21(29)25-16-9-8-15(2)24-14-16)17-6-5-7-19(20(17)23)27-10-12-28(13-11-27)22(30)31-3/h5-9,14,18H,4,10-13H2,1-3H3,(H2,25,26,29)