4-(3,4-diethoxyphenyl)-2-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]carbonylphenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one dihydrochloride

Systemtic Name: 4-(3,4-diethoxyphenyl)-2-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]carbonylphenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one dihydrochloride Openeye Name: 4-(3,4-diethoxyphenyl)-2-[4-[4-(2-morpholinoethyl)piperazine-1-carbonyl]phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one dihydrochloride CAS Name: 4-(3,4-diethoxyphenyl)-2-[4-[[4-[2-(4-morpholinyl)ethyl]-1-piperazinyl]-oxomethyl]phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one dihydrochloride IUPAC Name: 4-(3,4-diethoxyphenyl)-2-[4-[4-(2-morpholin-4-ylethyl)piperazine-1-carbonyl]phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one dihydrochloride Traditional Name: 4-(3,4-diethoxyphenyl)-2-[4-[4-(2-morpholinoethyl)piperazine-1-carbonyl]phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one dihydrochloride Formula: C35H47Cl2N5O5 MolecularWeight: 688.68418

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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)CCN6CCOCC6)OCC.Cl.Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=CC=C(C=C4)C(=O)N5CCN(CC5)CCN6CCOCC6)OCC.Cl.Cl

InChI

InChI=1S/C35H45N5O5.2ClH/c1-3-44-31-14-11-27(25-32(31)45-4-2)33-29-7-5-6-8-30(29)35(42)40(36-33)28-12-9-26(10-13-28)34(41)39-19-17-37(18-20-39)15-16-38-21-23-43-24-22-38;;/h5-6,9-14,25,29-30H,3-4,7-8,15-24H2,1-2H3;2*1H