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

Systemtic Name: methyl 2-[4-[[[3-(2-cyanoethanoylamino)-4-methyl-pyridin-2-yl]amino]methyl]phenyl]cyclopentene-1-carboxylate Openeye Name: methyl 2-[4-[[[3-[(2-cyanoacetyl)amino]-4-methyl-2-pyridyl]amino]methyl]phenyl]cyclopentene-1-carboxylate CAS Name: 2-[4-[[[3-[(2-cyano-1-oxoethyl)amino]-4-methyl-2-pyridinyl]amino]methyl]phenyl]-1-cyclopentenecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-[[[3-[(2-cyanoacetyl)amino]-4-methylpyridin-2-yl]amino]methyl]phenyl]cyclopentene-1-carboxylate Traditional Name: 2-[4-[[[3-[(2-cyanoacetyl)amino]-4-methyl-2-pyridyl]amino]methyl]phenyl]cyclopentene-1-carboxylic acid methyl ester Formula: C23H24N4O3 MolecularWeight: 404.46166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1)NCC2=CC=C(C=C2)C3=C(CCC3)C(=O)OC)NC(=O)CC#N

Isomeric SMILES

CC1=C(C(=NC=C1)NCC2=CC=C(C=C2)C3=C(CCC3)C(=O)OC)NC(=O)CC#N

InChI

InChI=1S/C23H24N4O3/c1-15-11-13-25-22(21(15)27-20(28)10-12-24)26-14-16-6-8-17(9-7-16)18-4-3-5-19(18)23(29)30-2/h6-9,11,13H,3-5,10,14H2,1-2H3,(H,25,26)(H,27,28)