methyl 2-[4-[[[3-(2-cyanoethanoylamino)-4-methyl-pyridin-2-yl]amino]methyl]piperidin-1-yl]benzoate

Systemtic Name: methyl 2-[4-[[[3-(2-cyanoethanoylamino)-4-methyl-pyridin-2-yl]amino]methyl]piperidin-1-yl]benzoate Openeye Name: methyl 2-[4-[[[3-[(2-cyanoacetyl)amino]-4-methyl-2-pyridyl]amino]methyl]-1-piperidyl]benzoate CAS Name: 2-[4-[[[3-[(2-cyano-1-oxoethyl)amino]-4-methyl-2-pyridinyl]amino]methyl]-1-piperidinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[[3-[(2-cyanoacetyl)amino]-4-methylpyridin-2-yl]amino]methyl]piperidin-1-yl]benzoate Traditional Name: 2-[4-[[[3-[(2-cyanoacetyl)amino]-4-methyl-2-pyridyl]amino]methyl]piperidino]benzoic acid methyl ester Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1)NCC2CCN(CC2)C3=CC=CC=C3C(=O)OC)NC(=O)CC#N

Isomeric SMILES

CC1=C(C(=NC=C1)NCC2CCN(CC2)C3=CC=CC=C3C(=O)OC)NC(=O)CC#N

InChI

InChI=1S/C23H27N5O3/c1-16-8-12-25-22(21(16)27-20(29)7-11-24)26-15-17-9-13-28(14-10-17)19-6-4-3-5-18(19)23(30)31-2/h3-6,8,12,17H,7,9-10,13-15H2,1-2H3,(H,25,26)(H,27,29)