4-(3-chlorophenyl)-6-methyl-2-phenyl-N-[(E)-3-phenylprop-2-enyl]pyrimidine-5-carboxamide

Systemtic Name: 4-(3-chlorophenyl)-6-methyl-2-phenyl-N-[(E)-3-phenylprop-2-enyl]pyrimidine-5-carboxamide Openeye Name: 4-(3-chlorophenyl)-N-[(E)-cinnamyl]-6-methyl-2-phenyl-pyrimidine-5-carboxamide CAS Name: 4-(3-chlorophenyl)-6-methyl-2-phenyl-N-[(E)-3-phenylprop-2-enyl]-5-pyrimidinecarboxamide IUPAC Name: 4-(3-chlorophenyl)-6-methyl-2-phenyl-N-[(E)-3-phenylprop-2-enyl]pyrimidine-5-carboxamide Traditional Name: 4-(3-chlorophenyl)-N-[(E)-cinnamyl]-6-methyl-2-phenyl-pyrimidine-5-carboxamide Formula: C27H22ClN3O MolecularWeight: 439.93608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)NCC=CC2=CC=CC=C2)C3=CC(=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)NC/C=C/C2=CC=CC=C2)C3=CC(=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C27H22ClN3O/c1-19-24(27(32)29-17-9-12-20-10-4-2-5-11-20)25(22-15-8-16-23(28)18-22)31-26(30-19)21-13-6-3-7-14-21/h2-16,18H,17H2,1H3,(H,29,32)/b12-9+