3,4-dihydro-1H-phthalazin-2-yl-[5-[4-(phenylmethyl)piperazin-1-yl]-1-benzofuran-2-yl]methanone

Systemtic Name: 3,4-dihydro-1H-phthalazin-2-yl-[5-[4-(phenylmethyl)piperazin-1-yl]-1-benzofuran-2-yl]methanone Openeye Name: [5-(4-benzylpiperazin-1-yl)benzofuran-2-yl]-(3,4-dihydro-1H-phthalazin-2-yl)methanone CAS Name: 3,4-dihydro-1H-phthalazin-2-yl-[5-[4-(phenylmethyl)-1-piperazinyl]-2-benzofuranyl]methanone IUPAC Name: [5-(4-benzylpiperazin-1-yl)-1-benzofuran-2-yl]-(3,4-dihydro-1H-phthalazin-2-yl)methanone Traditional Name: [5-(4-benzylpiperazino)benzofuran-2-yl]-(3,4-dihydro-1H-phthalazin-2-yl)methanone Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC4=C(C=C3)OC(=C4)C(=O)N5CC6=CC=CC=C6CN5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC4=C(C=C3)OC(=C4)C(=O)N5CC6=CC=CC=C6CN5

InChI

InChI=1S/C28H28N4O2/c33-28(32-20-23-9-5-4-8-22(23)18-29-32)27-17-24-16-25(10-11-26(24)34-27)31-14-12-30(13-15-31)19-21-6-2-1-3-7-21/h1-11,16-17,29H,12-15,18-20H2