4-[4-(3-methoxy-4-methyl-phenyl)carbonylpiperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one

Systemtic Name: 4-[4-(3-methoxy-4-methyl-phenyl)carbonylpiperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[4-(3-methoxy-4-methyl-benzoyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[[4-[(3-methoxy-4-methylphenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-(3-methoxy-4-methylbenzoyl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-[4-(3-methoxy-4-methyl-benzoyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C29H28N4O4 MolecularWeight: 496.55702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)OC

InChI

InChI=1S/C29H28N4O4/c1-20-12-13-22(18-25(20)37-2)27(34)31-14-16-32(17-15-31)29(36)26-23-10-6-7-11-24(23)28(35)33(30-26)19-21-8-4-3-5-9-21/h3-13,18H,14-17,19H2,1-2H3