4-[2-oxidanylidene-2-[4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidin-1-yl]ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-oxidanylidene-2-[4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidin-1-yl]ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[4-[1-[(4-isopropylphenyl)methyl]imidazol-2-yl]-1-piperidyl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-oxo-2-[4-[1-[(4-propan-2-ylphenyl)methyl]-2-imidazolyl]-1-piperidinyl]ethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-oxo-2-[4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidin-1-yl]ethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-[4-[1-(4-isopropylbenzyl)imidazol-2-yl]piperidino]-2-keto-ethyl]-2H-phthalazin-1-one Formula: C28H31N5O2 MolecularWeight: 469.57804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2C=CN=C2C3CCN(CC3)C(=O)CC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2C=CN=C2C3CCN(CC3)C(=O)CC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C28H31N5O2/c1-19(2)21-9-7-20(8-10-21)18-33-16-13-29-27(33)22-11-14-32(15-12-22)26(34)17-25-23-5-3-4-6-24(23)28(35)31-30-25/h3-10,13,16,19,22H,11-12,14-15,17-18H2,1-2H3,(H,31,35)