2-[1-(4-azanylbutanoyl)piperidin-4-yl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: 2-[1-(4-azanylbutanoyl)piperidin-4-yl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 2-[1-(4-aminobutanoyl)-4-piperidyl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 2-[1-(4-amino-1-oxobutyl)-4-piperidinyl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 2-[1-(4-aminobutanoyl)piperidin-4-yl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 2-[1-(4-aminobutanoyl)-4-piperidyl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C25H34N4O4 MolecularWeight: 454.56186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCN(CC4)C(=O)CCCN)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCN(CC4)C(=O)CCCN)OC

InChI

InChI=1S/C25H34N4O4/c1-32-21-10-9-17(16-22(21)33-2)24-19-6-3-4-7-20(19)25(31)29(27-24)18-11-14-28(15-12-18)23(30)8-5-13-26/h3-4,9-10,16,18-20H,5-8,11-15,26H2,1-2H3