methyl 2-cyano-2-[3-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-[[4-[(4-methyl-1-piperidyl)methyl]phenyl]methylamino]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[[4-[(4-methyl-1-piperidinyl)methyl]phenyl]methylamino]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[[4-[(4-methylpiperidino)methyl]benzyl]amino]quinoxalin-2-yl]acetic acid methyl ester Formula: C26H29N5O2 MolecularWeight: 443.54076

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CC2=CC=C(C=C2)CNC3=NC4=CC=CC=C4N=C3C(C#N)C(=O)OC

Isomeric SMILES

CC1CCN(CC1)CC2=CC=C(C=C2)CNC3=NC4=CC=CC=C4N=C3C(C#N)C(=O)OC

InChI

InChI=1S/C26H29N5O2/c1-18-11-13-31(14-12-18)17-20-9-7-19(8-10-20)16-28-25-24(21(15-27)26(32)33-2)29-22-5-3-4-6-23(22)30-25/h3-10,18,21H,11-14,16-17H2,1-2H3,(H,28,30)