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

Systemtic Name: methyl 4-[[4-methyl-3-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate Openeye Name: methyl 4-[[4-methyl-3-[(6-methyl-3-pyridyl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-methyl-3-[[[(6-methyl-3-pyridinyl)amino]-oxomethyl]amino]phenyl]methyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-methyl-3-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[4-methyl-3-[(6-methyl-3-pyridyl)carbamoylamino]benzyl]piperazine-1-carboxylic acid methyl ester Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)OC)NC(=O)NC3=CN=C(C=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)OC)NC(=O)NC3=CN=C(C=C3)C

InChI

InChI=1S/C21H27N5O3/c1-15-4-6-17(14-25-8-10-26(11-9-25)21(28)29-3)12-19(15)24-20(27)23-18-7-5-16(2)22-13-18/h4-7,12-13H,8-11,14H2,1-3H3,(H2,23,24,27)