N-(1,3-benzodioxol-5-ylmethyl)-4-[methyl-(phenylmethyl)amino]-2-phenyl-pyrimidine-5-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[methyl-(phenylmethyl)amino]-2-phenyl-pyrimidine-5-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[benzyl(methyl)amino]-2-phenyl-pyrimidine-5-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[methyl-(phenylmethyl)amino]-2-phenyl-5-pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[benzyl(methyl)amino]-2-phenylpyrimidine-5-carboxamide Traditional Name: 4-[benzyl(methyl)amino]-2-phenyl-N-piperonyl-pyrimidine-5-carboxamide Formula: C27H24N4O3 MolecularWeight: 452.50446

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC(=NC=C2C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC(=NC=C2C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C27H24N4O3/c1-31(17-19-8-4-2-5-9-19)26-22(16-28-25(30-26)21-10-6-3-7-11-21)27(32)29-15-20-12-13-23-24(14-20)34-18-33-23/h2-14,16H,15,17-18H2,1H3,(H,29,32)