N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(3-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-homopiperonyl-3-(3-methoxyphenyl)pyrazole-4-carboxamide Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)NCCC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)NCCC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O4/c1-32-22-9-5-8-21(15-22)26-23(17-30(29-26)16-20-6-3-2-4-7-20)27(31)28-13-12-19-10-11-24-25(14-19)34-18-33-24/h2-11,14-15,17H,12-13,16,18H2,1H3,(H,28,31)