2-cycloheptyl-4-[4-[(2S)-2-(4-oxidanylidene-3H-phthalazin-1-yl)propanoyl]piperazin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-cycloheptyl-4-[4-[(2S)-2-(4-oxidanylidene-3H-phthalazin-1-yl)propanoyl]piperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-cycloheptyl-4-[4-[(2S)-2-(4-oxo-3H-phthalazin-1-yl)propanoyl]piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-cycloheptyl-4-[4-[(2S)-1-oxo-2-(4-oxo-3H-phthalazin-1-yl)propyl]-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-cycloheptyl-4-[4-[(2S)-2-(4-oxo-3H-phthalazin-1-yl)propanoyl]piperazin-1-yl]isoindole-1,3-dione Traditional Name: 2-cycloheptyl-4-[4-[(2S)-2-(4-keto-3H-phthalazin-1-yl)propanoyl]piperazino]isoindoline-1,3-quinone Formula: C30H33N5O4 MolecularWeight: 527.61412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NNC(=O)C2=CC=CC=C21)C(=O)N3CCN(CC3)C4=CC=CC5=C4C(=O)N(C5=O)C6CCCCCC6

Isomeric SMILES

C[C@@H](C1=NNC(=O)C2=CC=CC=C21)C(=O)N3CCN(CC3)C4=CC=CC5=C4C(=O)N(C5=O)C6CCCCCC6

InChI

InChI=1S/C30H33N5O4/c1-19(26-21-11-6-7-12-22(21)27(36)32-31-26)28(37)34-17-15-33(16-18-34)24-14-8-13-23-25(24)30(39)35(29(23)38)20-9-4-2-3-5-10-20/h6-8,11-14,19-20H,2-5,9-10,15-18H2,1H3,(H,32,36)/t19-/m0/s1