4-(3,4-diethoxyphenyl)-2-(1-pyridin-4-ylcarbonylpiperidin-4-yl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one

Systemtic Name: 4-(3,4-diethoxyphenyl)-2-(1-pyridin-4-ylcarbonylpiperidin-4-yl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one Openeye Name: 4-(3,4-diethoxyphenyl)-2-[1-(pyridine-4-carbonyl)-4-piperidyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one CAS Name: 4-(3,4-diethoxyphenyl)-2-[1-[oxo(pyridin-4-yl)methyl]-4-piperidinyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one IUPAC Name: 4-(3,4-diethoxyphenyl)-2-[1-(pyridine-4-carbonyl)piperidin-4-yl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one Traditional Name: 4-(3,4-diethoxyphenyl)-2-(1-isonicotinoyl-4-piperidyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one Formula: C29H36N4O4 MolecularWeight: 504.62054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CCCC3)C4CCN(CC4)C(=O)C5=CC=NC=C5)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CCCC3)C4CCN(CC4)C(=O)C5=CC=NC=C5)OCC

InChI

InChI=1S/C29H36N4O4/c1-3-36-25-10-9-21(19-26(25)37-4-2)27-23-7-5-6-8-24(23)29(35)33(31-27)22-13-17-32(18-14-22)28(34)20-11-15-30-16-12-20/h9-12,15-16,19,22-24H,3-8,13-14,17-18H2,1-2H3