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

Systemtic Name: 4-(3,4-diethoxyphenyl)-2-(oxan-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-(3,4-diethoxyphenyl)-2-tetrahydropyran-4-yl-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-(3,4-diethoxyphenyl)-2-(4-oxanyl)-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-(3,4-diethoxyphenyl)-2-(oxan-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-(3,4-diethoxyphenyl)-2-tetrahydropyran-4-yl-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCOCC4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCOCC4)OCC

InChI

InChI=1S/C23H30N2O4/c1-3-28-20-10-9-16(15-21(20)29-4-2)22-18-7-5-6-8-19(18)23(26)25(24-22)17-11-13-27-14-12-17/h5-6,9-10,15,17-19H,3-4,7-8,11-14H2,1-2H3