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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-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-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C23H23ClN6O3 MolecularWeight: 466.92012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN6O3/c24-17-8-6-15(7-9-17)20(31)30-12-10-16(11-13-30)21(32)33-14-19-27-22(25)29-23(28-19)26-18-4-2-1-3-5-18/h1-9,16H,10-14H2,(H3,25,26,27,28,29)