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

Systemtic Name: methyl 2-[4-[[[3-(2-cyanoethanoylamino)-4-methyl-pyridin-2-yl]amino]methyl]-4-methyl-piperidin-1-yl]benzoate Openeye Name: methyl 2-[4-[[[3-[(2-cyanoacetyl)amino]-4-methyl-2-pyridyl]amino]methyl]-4-methyl-1-piperidyl]benzoate CAS Name: 2-[4-[[[3-[(2-cyano-1-oxoethyl)amino]-4-methyl-2-pyridinyl]amino]methyl]-4-methyl-1-piperidinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[[3-[(2-cyanoacetyl)amino]-4-methylpyridin-2-yl]amino]methyl]-4-methylpiperidin-1-yl]benzoate Traditional Name: 2-[4-[[[3-[(2-cyanoacetyl)amino]-4-methyl-2-pyridyl]amino]methyl]-4-methyl-piperidino]benzoic acid methyl ester Formula: C24H29N5O3 MolecularWeight: 435.51876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1)NCC2(CCN(CC2)C3=CC=CC=C3C(=O)OC)C)NC(=O)CC#N

Isomeric SMILES

CC1=C(C(=NC=C1)NCC2(CCN(CC2)C3=CC=CC=C3C(=O)OC)C)NC(=O)CC#N

InChI

InChI=1S/C24H29N5O3/c1-17-9-13-26-22(21(17)28-20(30)8-12-25)27-16-24(2)10-14-29(15-11-24)19-7-5-4-6-18(19)23(31)32-3/h4-7,9,13H,8,10-11,14-16H2,1-3H3,(H,26,27)(H,28,30)