methyl 4-[[2-methyl-5-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[[2-methyl-5-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate Openeye Name: methyl 4-[[2-methyl-5-[[(6-methyl-3-pyridyl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[2-methyl-5-[[[[(6-methyl-3-pyridinyl)amino]-oxomethyl]amino]methyl]phenyl]methyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[[2-methyl-5-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[2-methyl-5-[[(6-methyl-3-pyridyl)carbamoylamino]methyl]benzyl]piperazine-1-carboxylic acid methyl ester Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)NC2=CN=C(C=C2)C)CN3CCN(CC3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)NC2=CN=C(C=C2)C)CN3CCN(CC3)C(=O)OC

InChI

InChI=1S/C22H29N5O3/c1-16-4-6-18(13-24-21(28)25-20-7-5-17(2)23-14-20)12-19(16)15-26-8-10-27(11-9-26)22(29)30-3/h4-7,12,14H,8-11,13,15H2,1-3H3,(H2,24,25,28)