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

Systemtic Name: 4-(3,4-diethoxyphenyl)-2-[4-[4-(2-methylquinolin-4-yl)piperazin-1-yl]carbonylphenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-(3,4-diethoxyphenyl)-2-[4-[4-(2-methyl-4-quinolyl)piperazine-1-carbonyl]phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-(3,4-diethoxyphenyl)-2-[4-[[4-(2-methyl-4-quinolinyl)-1-piperazinyl]-oxomethyl]phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-(3,4-diethoxyphenyl)-2-[4-[4-(2-methylquinolin-4-yl)piperazine-1-carbonyl]phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-(3,4-diethoxyphenyl)-2-[4-[4-(2-methyl-4-quinolyl)piperazine-1-carbonyl]phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C39H41N5O4 MolecularWeight: 643.77394

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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(=NC7=CC=CC=C76)C)OCC

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(=NC7=CC=CC=C76)C)OCC

InChI

InChI=1S/C39H41N5O4/c1-4-47-35-19-16-28(25-36(35)48-5-2)37-30-10-6-7-11-31(30)39(46)44(41-37)29-17-14-27(15-18-29)38(45)43-22-20-42(21-23-43)34-24-26(3)40-33-13-9-8-12-32(33)34/h6-9,12-19,24-25,30-31H,4-5,10-11,20-23H2,1-3H3