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

Systemtic Name: ethyl 4-[[4-methyl-3-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[4-methyl-3-[[(6-methyl-3-pyridyl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-methyl-3-[[[[(6-methyl-3-pyridinyl)amino]-oxomethyl]amino]methyl]phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-methyl-3-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[4-methyl-3-[[(6-methyl-3-pyridyl)carbamoylamino]methyl]benzyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=CC(=C(C=C2)C)CNC(=O)NC3=CN=C(C=C3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=CC(=C(C=C2)C)CNC(=O)NC3=CN=C(C=C3)C

InChI

InChI=1S/C23H31N5O3/c1-4-31-23(30)28-11-9-27(10-12-28)16-19-7-5-17(2)20(13-19)14-25-22(29)26-21-8-6-18(3)24-15-21/h5-8,13,15H,4,9-12,14,16H2,1-3H3,(H2,25,26,29)