4-(3,4-diethoxyphenyl)-2-propan-2-yl-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: 4-(3,4-diethoxyphenyl)-2-propan-2-yl-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-(3,4-diethoxyphenyl)-2-isopropyl-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-(3,4-diethoxyphenyl)-2-propan-2-yl-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-(3,4-diethoxyphenyl)-2-propan-2-yl-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-(3,4-diethoxyphenyl)-2-isopropyl-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C(C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C(C)C)OCC

InChI

InChI=1S/C21H28N2O3/c1-5-25-18-12-11-15(13-19(18)26-6-2)20-16-9-7-8-10-17(16)21(24)23(22-20)14(3)4/h7-8,11-14,16-17H,5-6,9-10H2,1-4H3