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

Systemtic Name: 4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]carbonyl-2-pentyl-phthalazin-1-one Openeye Name: 4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-2-pentyl-phthalazin-1-one CAS Name: 4-[[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-2-pentyl-1-phthalazinone IUPAC Name: 4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-2-pentylphthalazin-1-one Traditional Name: 2-amyl-4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C27H32N4O3 MolecularWeight: 460.56798

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O3/c1-3-5-8-15-31-26(33)23-10-7-6-9-22(23)24(28-31)27(34)30-18-16-29(17-19-30)25(32)21-13-11-20(4-2)12-14-21/h6-7,9-14H,3-5,8,15-19H2,1-2H3