methyl 1-[4-[[[3-(2-cyanoethanoylamino)-4-methyl-pyridin-2-yl]amino]methyl]phenyl]piperidine-2-carboxylate

Systemtic Name: methyl 1-[4-[[[3-(2-cyanoethanoylamino)-4-methyl-pyridin-2-yl]amino]methyl]phenyl]piperidine-2-carboxylate Openeye Name: methyl 1-[4-[[[3-[(2-cyanoacetyl)amino]-4-methyl-2-pyridyl]amino]methyl]phenyl]piperidine-2-carboxylate CAS Name: 1-[4-[[[3-[(2-cyano-1-oxoethyl)amino]-4-methyl-2-pyridinyl]amino]methyl]phenyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[[[3-[(2-cyanoacetyl)amino]-4-methylpyridin-2-yl]amino]methyl]phenyl]piperidine-2-carboxylate Traditional Name: 1-[4-[[[3-[(2-cyanoacetyl)amino]-4-methyl-2-pyridyl]amino]methyl]phenyl]pipecolinic acid methyl ester Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1)NCC2=CC=C(C=C2)N3CCCCC3C(=O)OC)NC(=O)CC#N

Isomeric SMILES

CC1=C(C(=NC=C1)NCC2=CC=C(C=C2)N3CCCCC3C(=O)OC)NC(=O)CC#N

InChI

InChI=1S/C23H27N5O3/c1-16-11-13-25-22(21(16)27-20(29)10-12-24)26-15-17-6-8-18(9-7-17)28-14-4-3-5-19(28)23(30)31-2/h6-9,11,13,19H,3-5,10,14-15H2,1-2H3,(H,25,26)(H,27,29)