ethyl 4-[[4-(2-cyanophenyl)phenyl]methyl-propyl-amino]-2-methyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[4-(2-cyanophenyl)phenyl]methyl-propyl-amino]-2-methyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[[4-(2-cyanophenyl)phenyl]methyl-propyl-amino]-2-methyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(2-cyanophenyl)phenyl]methyl-propylamino]-2-methyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2-cyanophenyl)phenyl]methyl-propylamino]-2-methylpyrimidine-5-carboxylate Traditional Name: 4-[[4-(2-cyanophenyl)benzyl]-propyl-amino]-2-methyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H26N4O2 MolecularWeight: 414.49954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C3=NC(=NC=C3C(=O)OCC)C

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C3=NC(=NC=C3C(=O)OCC)C

InChI

InChI=1S/C25H26N4O2/c1-4-14-29(24-23(25(30)31-5-2)16-27-18(3)28-24)17-19-10-12-20(13-11-19)22-9-7-6-8-21(22)15-26/h6-13,16H,4-5,14,17H2,1-3H3