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

Systemtic Name: 4-(3,4-diethoxyphenyl)-2-[4-(4-phenylpiperazin-1-yl)carbonylphenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-(3,4-diethoxyphenyl)-2-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-(3,4-diethoxyphenyl)-2-[4-[oxo-(4-phenyl-1-piperazinyl)methyl]phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-(3,4-diethoxyphenyl)-2-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-(3,4-diethoxyphenyl)-2-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C35H38N4O4 MolecularWeight: 578.70062

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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=CC=C6)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=CC=C6)OCC

InChI

InChI=1S/C35H38N4O4/c1-3-42-31-19-16-26(24-32(31)43-4-2)33-29-12-8-9-13-30(29)35(41)39(36-33)28-17-14-25(15-18-28)34(40)38-22-20-37(21-23-38)27-10-6-5-7-11-27/h5-11,14-19,24,29-30H,3-4,12-13,20-23H2,1-2H3