4-methyl-2-[2-oxidanylidene-2-[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]ethyl]phthalazin-1-one

Systemtic Name: 4-methyl-2-[2-oxidanylidene-2-[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]ethyl]phthalazin-1-one Openeye Name: 2-[2-[(3S)-3-(4-isopropylanilino)-1-piperidyl]-2-oxo-ethyl]-4-methyl-phthalazin-1-one CAS Name: 4-methyl-2-[2-oxo-2-[(3S)-3-(4-propan-2-ylanilino)-1-piperidinyl]ethyl]-1-phthalazinone IUPAC Name: 4-methyl-2-[2-oxo-2-[(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]phthalazin-1-one Traditional Name: 2-[2-[(3S)-3-cumidinopiperidino]-2-keto-ethyl]-4-methyl-phthalazin-1-one Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CCCC(C3)NC4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CCC[C@@H](C3)NC4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C25H30N4O2/c1-17(2)19-10-12-20(13-11-19)26-21-7-6-14-28(15-21)24(30)16-29-25(31)23-9-5-4-8-22(23)18(3)27-29/h4-5,8-13,17,21,26H,6-7,14-16H2,1-3H3/t21-/m0/s1