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

Systemtic Name: methyl 4-[[2-cyano-5-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate Openeye Name: methyl 4-[[2-cyano-5-[(6-methyl-3-pyridyl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[2-cyano-5-[[[(6-methyl-3-pyridinyl)amino]-oxomethyl]amino]phenyl]methyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[[2-cyano-5-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[2-cyano-5-[(6-methyl-3-pyridyl)carbamoylamino]benzyl]piperazine-1-carboxylic acid methyl ester Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)C#N)CN3CCN(CC3)C(=O)OC

Isomeric SMILES

CC1=NC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)C#N)CN3CCN(CC3)C(=O)OC

InChI

InChI=1S/C21H24N6O3/c1-15-3-5-19(13-23-15)25-20(28)24-18-6-4-16(12-22)17(11-18)14-26-7-9-27(10-8-26)21(29)30-2/h3-6,11,13H,7-10,14H2,1-2H3,(H2,24,25,28)