4,5,6-tris(chloranyl)-3,3-bis(1-ethyl-2-methyl-indol-3-yl)-7-piperidin-1-yl-2-benzofuran-1-one

Systemtic Name: 4,5,6-tris(chloranyl)-3,3-bis(1-ethyl-2-methyl-indol-3-yl)-7-piperidin-1-yl-2-benzofuran-1-one Openeye Name: 4,5,6-trichloro-3,3-bis(1-ethyl-2-methyl-indol-3-yl)-7-(1-piperidyl)isobenzofuran-1-one CAS Name: 4,5,6-trichloro-3,3-bis(1-ethyl-2-methyl-3-indolyl)-7-(1-piperidinyl)-1-isobenzofuranone IUPAC Name: 4,5,6-trichloro-3,3-bis(1-ethyl-2-methylindol-3-yl)-7-piperidin-1-yl-2-benzofuran-1-one Traditional Name: 4,5,6-trichloro-3,3-bis(1-ethyl-2-methyl-indol-3-yl)-7-piperidino-phthalide Formula: C35H34Cl3N3O2 MolecularWeight: 635.02236

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=CC=CC=C21)C3(C4=C(C(=C(C(=C4Cl)Cl)Cl)N5CCCCC5)C(=O)O3)C6=C(N(C7=CC=CC=C76)CC)C)C

Isomeric SMILES

CCN1C(=C(C2=CC=CC=C21)C3(C4=C(C(=C(C(=C4Cl)Cl)Cl)N5CCCCC5)C(=O)O3)C6=C(N(C7=CC=CC=C76)CC)C)C

InChI

InChI=1S/C35H34Cl3N3O2/c1-5-40-20(3)27(22-14-8-10-16-24(22)40)35(28-21(4)41(6-2)25-17-11-9-15-23(25)28)29-26(34(42)43-35)33(32(38)31(37)30(29)36)39-18-12-7-13-19-39/h8-11,14-17H,5-7,12-13,18-19H2,1-4H3