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

Systemtic Name: 4-(3,4-diethoxyphenyl)-2-[4-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]carbonylphenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one dihydrochloride Openeye Name: 4-(3,4-diethoxyphenyl)-2-[4-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one dihydrochloride CAS Name: 4-(3,4-diethoxyphenyl)-2-[4-[oxo-[4-[2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]methyl]phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one dihydrochloride IUPAC Name: 4-(3,4-diethoxyphenyl)-2-[4-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one dihydrochloride Traditional Name: 4-(3,4-diethoxyphenyl)-2-[4-[4-(2-pyrrolidinoethyl)piperazine-1-carbonyl]phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one dihydrochloride Formula: C35H47Cl2N5O4 MolecularWeight: 672.68478

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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)CCN6CCCC6)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)CCN6CCCC6)OCC.Cl.Cl

InChI

InChI=1S/C35H45N5O4.2ClH/c1-3-43-31-16-13-27(25-32(31)44-4-2)33-29-9-5-6-10-30(29)35(42)40(36-33)28-14-11-26(12-15-28)34(41)39-23-21-38(22-24-39)20-19-37-17-7-8-18-37;;/h5-6,11-16,25,29-30H,3-4,7-10,17-24H2,1-2H3;2*1H