4-(3,4-diethoxyphenyl)-2-[4-[4-(1H-indol-4-yl)piperazin-1-yl]carbonylphenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one hydrochloride

Systemtic Name: 4-(3,4-diethoxyphenyl)-2-[4-[4-(1H-indol-4-yl)piperazin-1-yl]carbonylphenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one hydrochloride Openeye Name: 4-(3,4-diethoxyphenyl)-2-[4-[4-(1H-indol-4-yl)piperazine-1-carbonyl]phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one hydrochloride CAS Name: 4-(3,4-diethoxyphenyl)-2-[4-[[4-(1H-indol-4-yl)-1-piperazinyl]-oxomethyl]phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one hydrochloride IUPAC Name: 4-(3,4-diethoxyphenyl)-2-[4-[4-(1H-indol-4-yl)piperazine-1-carbonyl]phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one hydrochloride Traditional Name: 4-(3,4-diethoxyphenyl)-2-[4-[4-(1H-indol-4-yl)piperazine-1-carbonyl]phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one hydrochloride Formula: C37H40ClN5O4 MolecularWeight: 654.1976

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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)C6=CC=CC7=C6C=CN7)OCC.Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=CC=C(C=C4)C(=O)N5CCN(CC5)C6=CC=CC7=C6C=CN7)OCC.Cl

InChI

InChI=1S/C37H39N5O4.ClH/c1-3-45-33-17-14-26(24-34(33)46-4-2)35-28-8-5-6-9-29(28)37(44)42(39-35)27-15-12-25(13-16-27)36(43)41-22-20-40(21-23-41)32-11-7-10-31-30(32)18-19-38-31;/h5-7,10-19,24,28-29,38H,3-4,8-9,20-23H2,1-2H3;1H