methyl 2-[4-[[[3-(2-cyanopropanoylamino)pyridin-2-yl]amino]methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[[[3-(2-cyanopropanoylamino)pyridin-2-yl]amino]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[[3-(2-cyanopropanoylamino)-2-pyridyl]amino]methyl]phenyl]benzoate CAS Name: 2-[4-[[[3-[(2-cyano-1-oxopropyl)amino]-2-pyridinyl]amino]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[[3-(2-cyanopropanoylamino)pyridin-2-yl]amino]methyl]phenyl]benzoate Traditional Name: 2-[4-[[[3-(2-cyanopropanoylamino)-2-pyridyl]amino]methyl]phenyl]benzoic acid methyl ester Formula: C24H22N4O3 MolecularWeight: 414.45648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)C(=O)NC1=C(N=CC=C1)NCC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC(C#N)C(=O)NC1=C(N=CC=C1)NCC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C24H22N4O3/c1-16(14-25)23(29)28-21-8-5-13-26-22(21)27-15-17-9-11-18(12-10-17)19-6-3-4-7-20(19)24(30)31-2/h3-13,16H,15H2,1-2H3,(H,26,27)(H,28,29)