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

Systemtic Name: methyl 1-[4-[[[3-(2-cyanoethanoylamino)-4-methyl-pyridin-2-yl]amino]methyl]phenyl]pyrrolidine-2-carboxylate Openeye Name: methyl 1-[4-[[[3-[(2-cyanoacetyl)amino]-4-methyl-2-pyridyl]amino]methyl]phenyl]pyrrolidine-2-carboxylate CAS Name: 1-[4-[[[3-[(2-cyano-1-oxoethyl)amino]-4-methyl-2-pyridinyl]amino]methyl]phenyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[[[3-[(2-cyanoacetyl)amino]-4-methylpyridin-2-yl]amino]methyl]phenyl]pyrrolidine-2-carboxylate Traditional Name: 1-[4-[[[3-[(2-cyanoacetyl)amino]-4-methyl-2-pyridyl]amino]methyl]phenyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1)NCC2=CC=C(C=C2)N3CCCC3C(=O)OC)NC(=O)CC#N

Isomeric SMILES

CC1=C(C(=NC=C1)NCC2=CC=C(C=C2)N3CCCC3C(=O)OC)NC(=O)CC#N

InChI

InChI=1S/C22H25N5O3/c1-15-10-12-24-21(20(15)26-19(28)9-11-23)25-14-16-5-7-17(8-6-16)27-13-3-4-18(27)22(29)30-2/h5-8,10,12,18H,3-4,9,13-14H2,1-2H3,(H,24,25)(H,26,28)