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

Systemtic Name: 4-(3,4-diethoxyphenyl)-2-(1-morpholin-4-ylcarbonylpiperidin-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-(3,4-diethoxyphenyl)-2-[1-(morpholine-4-carbonyl)-4-piperidyl]-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-(3,4-diethoxyphenyl)-2-[1-[4-morpholinyl(oxo)methyl]-4-piperidinyl]-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-(3,4-diethoxyphenyl)-2-[1-(morpholine-4-carbonyl)piperidin-4-yl]-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-(3,4-diethoxyphenyl)-2-[1-(morpholine-4-carbonyl)-4-piperidyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C28H38N4O5 MolecularWeight: 510.62512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCN(CC4)C(=O)N5CCOCC5)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCN(CC4)C(=O)N5CCOCC5)OCC

InChI

InChI=1S/C28H38N4O5/c1-3-36-24-10-9-20(19-25(24)37-4-2)26-22-7-5-6-8-23(22)27(33)32(29-26)21-11-13-30(14-12-21)28(34)31-15-17-35-18-16-31/h5-6,9-10,19,21-23H,3-4,7-8,11-18H2,1-2H3