N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethoxyphenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethoxyphenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethoxyphenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethoxyphenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine Traditional Name: [2-(3,4-dimethoxyphenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl]-piperonyl-amine Formula: C28H24N4O4 MolecularWeight: 480.51456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN3C(=C2)N=C(C=C3NCC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN3C(=C2)N=C(C=C3NCC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6)OC

InChI

InChI=1S/C28H24N4O4/c1-33-23-11-9-20(13-25(23)34-2)22-15-28-30-21(19-6-4-3-5-7-19)14-27(32(28)31-22)29-16-18-8-10-24-26(12-18)36-17-35-24/h3-15,29H,16-17H2,1-2H3