6-tert-butyl-2-[2-(hydroxymethyl)-3-[1-methyl-6-oxidanylidene-5-[(5-piperazin-1-ylpyridin-2-yl)amino]pyridin-3-yl]phenyl]phthalazin-1-one

Systemtic Name: 6-tert-butyl-2-[2-(hydroxymethyl)-3-[1-methyl-6-oxidanylidene-5-[(5-piperazin-1-ylpyridin-2-yl)amino]pyridin-3-yl]phenyl]phthalazin-1-one Openeye Name: 6-tert-butyl-2-[2-(hydroxymethyl)-3-[1-methyl-6-oxo-5-[(5-piperazin-1-yl-2-pyridyl)amino]-3-pyridyl]phenyl]phthalazin-1-one CAS Name: 6-tert-butyl-2-[2-(hydroxymethyl)-3-[1-methyl-6-oxo-5-[[5-(1-piperazinyl)-2-pyridinyl]amino]-3-pyridinyl]phenyl]-1-phthalazinone IUPAC Name: 6-tert-butyl-2-[2-(hydroxymethyl)-3-[1-methyl-6-oxo-5-[(5-piperazin-1-ylpyridin-2-yl)amino]pyridin-3-yl]phenyl]phthalazin-1-one Traditional Name: 6-tert-butyl-2-[3-[6-keto-1-methyl-5-[(5-piperazino-2-pyridyl)amino]-3-pyridyl]-2-methylol-phenyl]phthalazin-1-one Formula: C34H37N7O3 MolecularWeight: 591.70268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)C(=O)N(N=C2)C3=CC=CC(=C3CO)C4=CN(C(=O)C(=C4)NC5=NC=C(C=C5)N6CCNCC6)C

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)C(=O)N(N=C2)C3=CC=CC(=C3CO)C4=CN(C(=O)C(=C4)NC5=NC=C(C=C5)N6CCNCC6)C

InChI

InChI=1S/C34H37N7O3/c1-34(2,3)24-8-10-27-22(16-24)18-37-41(32(27)43)30-7-5-6-26(28(30)21-42)23-17-29(33(44)39(4)20-23)38-31-11-9-25(19-36-31)40-14-12-35-13-15-40/h5-11,16-20,35,42H,12-15,21H2,1-4H3,(H,36,38)