[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(2-methylbenzoyl)piperidine-4-carboxylate CAS Name: 1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxylic acid [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(2-methylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-o-toluoylisonipecotic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C20H26N6O3 MolecularWeight: 398.45884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OCC3=NC(=NC(=N3)N(C)C)N

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OCC3=NC(=NC(=N3)N(C)C)N

InChI

InChI=1S/C20H26N6O3/c1-13-6-4-5-7-15(13)17(27)26-10-8-14(9-11-26)18(28)29-12-16-22-19(21)24-20(23-16)25(2)3/h4-7,14H,8-12H2,1-3H3,(H2,21,22,23,24)