4-[4-[4-(3,4-diethoxyphenyl)-1-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-2-yl]phenyl]carbonylpiperazine-1-carboxylic acid

Systemtic Name: 4-[4-[4-(3,4-diethoxyphenyl)-1-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-2-yl]phenyl]carbonylpiperazine-1-carboxylic acid Openeye Name: 4-[4-[4-(3,4-diethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]benzoyl]piperazine-1-carboxylic acid CAS Name: 4-[[4-[4-(3,4-diethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[4-[4-(3,4-diethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]benzoyl]piperazine-1-carboxylic acid Traditional Name: 4-[4-[4-(3,4-diethoxyphenyl)-1-keto-4a,5,8,8a-tetrahydrophthalazin-2-yl]benzoyl]piperazine-1-carboxylic acid Formula: C30H34N4O6 MolecularWeight: 546.61416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=CC=C(C=C4)C(=O)N5CCN(CC5)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=CC=C(C=C4)C(=O)N5CCN(CC5)C(=O)O)OCC

InChI

InChI=1S/C30H34N4O6/c1-3-39-25-14-11-21(19-26(25)40-4-2)27-23-7-5-6-8-24(23)29(36)34(31-27)22-12-9-20(10-13-22)28(35)32-15-17-33(18-16-32)30(37)38/h5-6,9-14,19,23-24H,3-4,7-8,15-18H2,1-2H3,(H,37,38)