4-[1-[(2S)-4-(furan-2-ylmethyl)-2-propan-2-yl-piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-2H-phthalazin-1-one

Systemtic Name: 4-[1-[(2S)-4-(furan-2-ylmethyl)-2-propan-2-yl-piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-2H-phthalazin-1-one Openeye Name: 4-[2-[(2S)-4-(2-furylmethyl)-2-isopropyl-piperazin-1-yl]-1-methyl-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[1-[(2S)-4-(2-furanylmethyl)-2-propan-2-yl-1-piperazinyl]-1-oxopropan-2-yl]-2H-phthalazin-1-one IUPAC Name: 4-[1-[(2S)-4-(furan-2-ylmethyl)-2-propan-2-ylpiperazin-1-yl]-1-oxopropan-2-yl]-2H-phthalazin-1-one Traditional Name: 4-[2-[(2S)-4-(2-furfuryl)-2-isopropyl-piperazino]-2-keto-1-methyl-ethyl]-2H-phthalazin-1-one Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CN(CCN1C(=O)C(C)C2=NNC(=O)C3=CC=CC=C32)CC4=CC=CO4

Isomeric SMILES

CC(C)[C@H]1CN(CCN1C(=O)C(C)C2=NNC(=O)C3=CC=CC=C32)CC4=CC=CO4

InChI

InChI=1S/C23H28N4O3/c1-15(2)20-14-26(13-17-7-6-12-30-17)10-11-27(20)23(29)16(3)21-18-8-4-5-9-19(18)22(28)25-24-21/h4-9,12,15-16,20H,10-11,13-14H2,1-3H3,(H,25,28)/t16?,20-/m1/s1