4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-4-yl)-2-[4-(4-phenylpiperazin-1-yl)carbonylphenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: 4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-4-yl)-2-[4-(4-phenylpiperazin-1-yl)carbonylphenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-(7-methoxy-2,2-dimethyl-3H-benzofuran-4-yl)-2-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-(7-methoxy-2,2-dimethyl-3H-benzofuran-4-yl)-2-[4-[oxo-(4-phenyl-1-piperazinyl)methyl]phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-4-yl)-2-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-(7-methoxy-2,2-dimethyl-coumaran-4-yl)-2-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C36H38N4O4 MolecularWeight: 590.71132

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC(=C2O1)OC)C3=NN(C(=O)C4C3CC=CC4)C5=CC=C(C=C5)C(=O)N6CCN(CC6)C7=CC=CC=C7)C

Isomeric SMILES

CC1(CC2=C(C=CC(=C2O1)OC)C3=NN(C(=O)C4C3CC=CC4)C5=CC=C(C=C5)C(=O)N6CCN(CC6)C7=CC=CC=C7)C

InChI

InChI=1S/C36H38N4O4/c1-36(2)23-30-28(17-18-31(43-3)33(30)44-36)32-27-11-7-8-12-29(27)35(42)40(37-32)26-15-13-24(14-16-26)34(41)39-21-19-38(20-22-39)25-9-5-4-6-10-25/h4-10,13-18,27,29H,11-12,19-23H2,1-3H3