ethyl 2-methyl-4-[3-methyl-4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]carbonyl-6-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methyl-4-[3-methyl-4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]carbonyl-6-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-methyl-4-[3-methyl-4-[(E)-3-phenylprop-2-enoyl]piperazine-1-carbonyl]-6-phenyl-pyrimidine-5-carboxylate CAS Name: 2-methyl-4-[[3-methyl-4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]-oxomethyl]-6-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-[3-methyl-4-[(E)-3-phenylprop-2-enoyl]piperazine-1-carbonyl]-6-phenylpyrimidine-5-carboxylate Traditional Name: 2-methyl-4-[3-methyl-4-[(E)-3-phenylacryloyl]piperazine-1-carbonyl]-6-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C29H30N4O4 MolecularWeight: 498.5729

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C(=O)N2CCN(C(C2)C)C(=O)C=CC3=CC=CC=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C(=O)N2CCN(C(C2)C)C(=O)/C=C/C3=CC=CC=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C29H30N4O4/c1-4-37-29(36)25-26(23-13-9-6-10-14-23)30-21(3)31-27(25)28(35)32-17-18-33(20(2)19-32)24(34)16-15-22-11-7-5-8-12-22/h5-16,20H,4,17-19H2,1-3H3/b16-15+