4-[4-[2-(4-methyl-1,3-thiazol-2-yl)ethanoyl]piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one

Systemtic Name: 4-[4-[2-(4-methyl-1,3-thiazol-2-yl)ethanoyl]piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[4-[2-(4-methylthiazol-2-yl)acetyl]piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[[4-[2-(4-methyl-2-thiazolyl)-1-oxoethyl]-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-[4-[2-(4-methylthiazol-2-yl)acetyl]piperazine-1-carbonyl]phthalazin-1-one Formula: C26H25N5O3S MolecularWeight: 487.5734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)CC(=O)N2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CC1=CSC(=N1)CC(=O)N2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C26H25N5O3S/c1-18-17-35-22(27-18)15-23(32)29-11-13-30(14-12-29)26(34)24-20-9-5-6-10-21(20)25(33)31(28-24)16-19-7-3-2-4-8-19/h2-10,17H,11-16H2,1H3