4-(3,4-dimethoxyphenyl)-2-phenethyl-4a,5,6,7,8,8a-hexahydrophthalazin-1-one

Systemtic Name: 4-(3,4-dimethoxyphenyl)-2-phenethyl-4a,5,6,7,8,8a-hexahydrophthalazin-1-one Openeye Name: 4-(3,4-dimethoxyphenyl)-2-phenethyl-4a,5,6,7,8,8a-hexahydrophthalazin-1-one CAS Name: 4-(3,4-dimethoxyphenyl)-2-phenethyl-4a,5,6,7,8,8a-hexahydrophthalazin-1-one IUPAC Name: 4-(3,4-dimethoxyphenyl)-2-phenethyl-4a,5,6,7,8,8a-hexahydrophthalazin-1-one Traditional Name: 4-(3,4-dimethoxyphenyl)-2-phenethyl-4a,5,6,7,8,8a-hexahydrophthalazin-1-one Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CCCC3)CCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CCCC3)CCC4=CC=CC=C4)OC

InChI

InChI=1S/C24H28N2O3/c1-28-21-13-12-18(16-22(21)29-2)23-19-10-6-7-11-20(19)24(27)26(25-23)15-14-17-8-4-3-5-9-17/h3-5,8-9,12-13,16,19-20H,6-7,10-11,14-15H2,1-2H3