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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)NC(=O)NCC2=CC=CC(=C2)CN3CCN(CC3)C(=O)OC

Isomeric SMILES

CC1=NC=C(C=C1)NC(=O)NCC2=CC=CC(=C2)CN3CCN(CC3)C(=O)OC

InChI

InChI=1S/C21H27N5O3/c1-16-6-7-19(14-22-16)24-20(27)23-13-17-4-3-5-18(12-17)15-25-8-10-26(11-9-25)21(28)29-2/h3-7,12,14H,8-11,13,15H2,1-2H3,(H2,23,24,27)