4-[4-(2-methylpropanoyl)piperazin-1-yl]carbonyl-2-pentyl-phthalazin-1-one

Systemtic Name: 4-[4-(2-methylpropanoyl)piperazin-1-yl]carbonyl-2-pentyl-phthalazin-1-one Openeye Name: 4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-2-pentyl-phthalazin-1-one CAS Name: 4-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-oxomethyl]-2-pentyl-1-phthalazinone IUPAC Name: 4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-2-pentylphthalazin-1-one Traditional Name: 2-amyl-4-(4-isobutyrylpiperazine-1-carbonyl)phthalazin-1-one Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O3/c1-4-5-8-11-26-21(28)18-10-7-6-9-17(18)19(23-26)22(29)25-14-12-24(13-15-25)20(27)16(2)3/h6-7,9-10,16H,4-5,8,11-15H2,1-3H3