1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazole-4-carboxamide

Systemtic Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazole-4-carboxamide Openeye Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-methyl-N-[(4-phenyltetrahydropyran-4-yl)methyl]pyrazole-4-carboxamide CAS Name: 1-[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]-5-methyl-N-[(4-phenyl-4-oxanyl)methyl]-4-pyrazolecarboxamide IUPAC Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazole-4-carboxamide Traditional Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-methyl-N-[(4-phenyltetrahydropyran-4-yl)methyl]pyrazole-4-carboxamide Formula: C28H27N5O4 MolecularWeight: 497.54508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC4=C(C=C3)OCO4)C(=O)NCC5(CCOCC5)C6=CC=CC=C6

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC4=C(C=C3)OCO4)C(=O)NCC5(CCOCC5)C6=CC=CC=C6

InChI

InChI=1S/C28H27N5O4/c1-19-22(26(34)30-17-28(10-13-35-14-11-28)21-5-3-2-4-6-21)16-31-33(19)27-29-12-9-23(32-27)20-7-8-24-25(15-20)37-18-36-24/h2-9,12,15-16H,10-11,13-14,17-18H2,1H3,(H,30,34)