[4-(furan-2-ylcarbonyl)piperazin-1-yl]-[4-[4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-4-yl)-2-oxidanidyl-4a,5,8,8a-tetrahydro-1H-phthalazin-2-ium-2-yl]phenyl]methanone

Systemtic Name: [4-(furan-2-ylcarbonyl)piperazin-1-yl]-[4-[4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-4-yl)-2-oxidanidyl-4a,5,8,8a-tetrahydro-1H-phthalazin-2-ium-2-yl]phenyl]methanone Openeye Name: [4-(furan-2-carbonyl)piperazin-1-yl]-[4-[4-(7-methoxy-2,2-dimethyl-3H-benzofuran-4-yl)-2-oxido-4a,5,8,8a-tetrahydro-1H-phthalazin-2-ium-2-yl]phenyl]methanone CAS Name: [4-[2-furanyl(oxo)methyl]-1-piperazinyl]-[4-[4-(7-methoxy-2,2-dimethyl-3H-benzofuran-4-yl)-2-oxido-4a,5,8,8a-tetrahydro-1H-phthalazin-2-ium-2-yl]phenyl]methanone IUPAC Name: [4-(furan-2-carbonyl)piperazin-1-yl]-[4-[4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-4-yl)-2-oxido-4a,5,8,8a-tetrahydro-1H-phthalazin-2-ium-2-yl]phenyl]methanone Traditional Name: [4-(2-furoyl)piperazino]-[4-[4-(7-methoxy-2,2-dimethyl-coumaran-4-yl)-2-oxido-4a,5,8,8a-tetrahydro-1H-phthalazin-2-ium-2-yl]phenyl]methanone Formula: C35H38N4O6 MolecularWeight: 610.69942

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC(=C2O1)OC)C3=N[N+](CC4C3CC=CC4)(C5=CC=C(C=C5)C(=O)N6CCN(CC6)C(=O)C7=CC=CO7)[O-])C

Isomeric SMILES

CC1(CC2=C(C=CC(=C2O1)OC)C3=N[N+](CC4C3CC=CC4)(C5=CC=C(C=C5)C(=O)N6CCN(CC6)C(=O)C7=CC=CO7)[O-])C

InChI

InChI=1S/C35H38N4O6/c1-35(2)21-28-27(14-15-29(43-3)32(28)45-35)31-26-8-5-4-7-24(26)22-39(42,36-31)25-12-10-23(11-13-25)33(40)37-16-18-38(19-17-37)34(41)30-9-6-20-44-30/h4-6,9-15,20,24,26H,7-8,16-19,21-22H2,1-3H3