ethyl 4-[4-[4-(phenylmethyl)phthalazin-1-yl]piperazin-1-yl]benzoate

Systemtic Name: ethyl 4-[4-[4-(phenylmethyl)phthalazin-1-yl]piperazin-1-yl]benzoate Openeye Name: ethyl 4-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]benzoate CAS Name: 4-[4-[4-(phenylmethyl)-1-phthalazinyl]-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]benzoate Traditional Name: 4-[4-(4-benzylphthalazin-1-yl)piperazino]benzoic acid ethyl ester Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N4O2/c1-2-34-28(33)22-12-14-23(15-13-22)31-16-18-32(19-17-31)27-25-11-7-6-10-24(25)26(29-30-27)20-21-8-4-3-5-9-21/h3-15H,2,16-20H2,1H3