ethyl 1-[(2-azanylpyrimidin-5-yl)methyl]-4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2-azanylpyrimidin-5-yl)methyl]-4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2-aminopyrimidin-5-yl)methyl]-4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate CAS Name: 1-[(2-amino-5-pyrimidinyl)methyl]-4-[(4-chlorophenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-aminopyrimidin-5-yl)methyl]-4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(2-aminopyrimidin-5-yl)methyl]-4-(4-chlorobenzyl)isonipecotic acid ethyl ester Formula: C20H25ClN4O2 MolecularWeight: 388.8911

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CN=C(N=C2)N)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CN=C(N=C2)N)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H25ClN4O2/c1-2-27-18(26)20(11-15-3-5-17(21)6-4-15)7-9-25(10-8-20)14-16-12-23-19(22)24-13-16/h3-6,12-13H,2,7-11,14H2,1H3,(H2,22,23,24)