2-methyl-4-[(3S)-3-(4-phenylphenyl)carbonylpiperidin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-methyl-4-[(3S)-3-(4-phenylphenyl)carbonylpiperidin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-methyl-4-[(3S)-3-(4-phenylbenzoyl)piperidine-1-carbonyl]phthalazin-1-one CAS Name: 2-methyl-4-[oxo-[(3S)-3-[oxo-(4-phenylphenyl)methyl]-1-piperidinyl]methyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[(3S)-3-(4-phenylbenzoyl)piperidine-1-carbonyl]phthalazin-1-one Traditional Name: 2-methyl-4-[(3S)-3-(4-phenylbenzoyl)piperidine-1-carbonyl]phthalazin-1-one Formula: C28H25N3O3 MolecularWeight: 451.5164

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCC(C3)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC[C@@H](C3)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H25N3O3/c1-30-27(33)24-12-6-5-11-23(24)25(29-30)28(34)31-17-7-10-22(18-31)26(32)21-15-13-20(14-16-21)19-8-3-2-4-9-19/h2-6,8-9,11-16,22H,7,10,17-18H2,1H3/t22-/m0/s1