2-hexyl-4-(4-phenylpiperazin-1-yl)carbonyl-phthalazin-1-one

Systemtic Name: 2-hexyl-4-(4-phenylpiperazin-1-yl)carbonyl-phthalazin-1-one Openeye Name: 2-hexyl-4-(4-phenylpiperazine-1-carbonyl)phthalazin-1-one CAS Name: 2-hexyl-4-[oxo-(4-phenyl-1-piperazinyl)methyl]-1-phthalazinone IUPAC Name: 2-hexyl-4-(4-phenylpiperazine-1-carbonyl)phthalazin-1-one Traditional Name: 2-hexyl-4-(4-phenylpiperazine-1-carbonyl)phthalazin-1-one Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2/c1-2-3-4-10-15-29-24(30)22-14-9-8-13-21(22)23(26-29)25(31)28-18-16-27(17-19-28)20-11-6-5-7-12-20/h5-9,11-14H,2-4,10,15-19H2,1H3