(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C23H25N7O3 MolecularWeight: 447.4897

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H25N7O3/c24-21-27-19(28-22(29-21)25-17-7-3-1-4-8-17)15-33-20(31)16-11-13-30(14-12-16)23(32)26-18-9-5-2-6-10-18/h1-10,16H,11-15H2,(H,26,32)(H3,24,25,27,28,29)