2-phenyl-4-[4-(quinolin-8-ylmethyl)piperazin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-phenyl-4-[4-(quinolin-8-ylmethyl)piperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-phenyl-4-[4-(8-quinolylmethyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[oxo-[4-(8-quinolinylmethyl)-1-piperazinyl]methyl]-2-phenyl-1-phthalazinone IUPAC Name: 2-phenyl-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-phenyl-4-[4-(8-quinolylmethyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C29H25N5O2 MolecularWeight: 475.5411

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=C2N=CC=C3)C(=O)C4=NN(C(=O)C5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=C2N=CC=C3)C(=O)C4=NN(C(=O)C5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C29H25N5O2/c35-28-25-14-5-4-13-24(25)27(31-34(28)23-11-2-1-3-12-23)29(36)33-18-16-32(17-19-33)20-22-9-6-8-21-10-7-15-30-26(21)22/h1-15H,16-20H2