4-[4-(4-hydroxyphenyl)carbonylpiperazin-1-yl]carbonyl-2-pentyl-phthalazin-1-one

Systemtic Name: 4-[4-(4-hydroxyphenyl)carbonylpiperazin-1-yl]carbonyl-2-pentyl-phthalazin-1-one Openeye Name: 4-[4-(4-hydroxybenzoyl)piperazine-1-carbonyl]-2-pentyl-phthalazin-1-one CAS Name: 4-[[4-[(4-hydroxyphenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-2-pentyl-1-phthalazinone IUPAC Name: 4-[4-(4-hydroxybenzoyl)piperazine-1-carbonyl]-2-pentylphthalazin-1-one Traditional Name: 2-amyl-4-[4-(4-hydroxybenzoyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C(=O)C4=CC=C(C=C4)O

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C(=O)C4=CC=C(C=C4)O

InChI

InChI=1S/C25H28N4O4/c1-2-3-6-13-29-24(32)21-8-5-4-7-20(21)22(26-29)25(33)28-16-14-27(15-17-28)23(31)18-9-11-19(30)12-10-18/h4-5,7-12,30H,2-3,6,13-17H2,1H3