[3-[4-(2-cyanophenyl)phenyl]propyl-methyl-amino] 2-methylpyrimidine-5-carboxylate

Systemtic Name: [3-[4-(2-cyanophenyl)phenyl]propyl-methyl-amino] 2-methylpyrimidine-5-carboxylate Openeye Name: [3-[4-(2-cyanophenyl)phenyl]propyl-methyl-amino] 2-methylpyrimidine-5-carboxylate CAS Name: 2-methyl-5-pyrimidinecarboxylic acid [3-[4-(2-cyanophenyl)phenyl]propyl-methylamino] ester IUPAC Name: [3-[4-(2-cyanophenyl)phenyl]propyl-methylamino] 2-methylpyrimidine-5-carboxylate Traditional Name: 2-methylpyrimidine-5-carboxylic acid [3-[4-(2-cyanophenyl)phenyl]propyl-methyl-amino] ester Formula: C23H22N4O2 MolecularWeight: 386.44638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=N1)C(=O)ON(C)CCCC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=NC=C(C=N1)C(=O)ON(C)CCCC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C23H22N4O2/c1-17-25-15-21(16-26-17)23(28)29-27(2)13-5-6-18-9-11-19(12-10-18)22-8-4-3-7-20(22)14-24/h3-4,7-12,15-16H,5-6,13H2,1-2H3