4-(3-cyclopentyloxy-4-methoxy-phenyl)-2-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: 4-(3-cyclopentyloxy-4-methoxy-phenyl)-2-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=CC=CC=C4)OC5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=CC=CC=C4)OC5CCCC5

InChI

InChI=1S/C26H28N2O3/c1-30-23-16-15-18(17-24(23)31-20-11-5-6-12-20)25-21-13-7-8-14-22(21)26(29)28(27-25)19-9-3-2-4-10-19/h2-4,7-10,15-17,20-22H,5-6,11-14H2,1H3