N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(2,3-dihydrobenzofuran-2-ylmethyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide CAS Name: N-(2,3-dihydrobenzofuran-2-ylmethyl)-3-(3-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(coumaran-2-ylmethyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)NCC3CC4=CC=CC=C4O3)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)NCC3CC4=CC=CC=C4O3)CC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O3/c1-32-22-12-7-11-21(15-22)26-24(18-30(29-26)17-19-8-3-2-4-9-19)27(31)28-16-23-14-20-10-5-6-13-25(20)33-23/h2-13,15,18,23H,14,16-17H2,1H3,(H,28,31)