N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methoxy-4-methyl-phenoxy)-2-phenyl-pyrimidine-5-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methoxy-4-methyl-phenoxy)-2-phenyl-pyrimidine-5-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methoxy-4-methyl-phenoxy)-2-phenyl-pyrimidine-5-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methoxy-4-methylphenoxy)-2-phenyl-5-pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methoxy-4-methylphenoxy)-2-phenylpyrimidine-5-carboxamide Traditional Name: 4-(2-methoxy-4-methyl-phenoxy)-2-phenyl-N-piperonyl-pyrimidine-5-carboxamide Formula: C27H23N3O5 MolecularWeight: 469.48862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=NC(=NC=C2C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=NC(=NC=C2C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)OC

InChI

InChI=1S/C27H23N3O5/c1-17-8-10-22(23(12-17)32-2)35-27-20(15-28-25(30-27)19-6-4-3-5-7-19)26(31)29-14-18-9-11-21-24(13-18)34-16-33-21/h3-13,15H,14,16H2,1-2H3,(H,29,31)