(3E)-3-[[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-bromanyl-indol-3-yl]methylidene]-1-methyl-indol-2-one

Systemtic Name: (3E)-3-[[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-bromanyl-indol-3-yl]methylidene]-1-methyl-indol-2-one Openeye Name: (3E)-3-[[1-[2-(azepan-1-yl)-2-oxo-ethyl]-5-bromo-indol-3-yl]methylene]-1-methyl-indolin-2-one CAS Name: (3E)-3-[[1-[2-(1-azepanyl)-2-oxoethyl]-5-bromo-3-indolyl]methylidene]-1-methyl-2-indolone IUPAC Name: (3E)-3-[[1-[2-(azepan-1-yl)-2-oxoethyl]-5-bromoindol-3-yl]methylidene]-1-methylindol-2-one Traditional Name: (3E)-3-[[1-[2-(azepan-1-yl)-2-keto-ethyl]-5-bromo-indol-3-yl]methylene]-1-methyl-oxindole Formula: C26H26BrN3O2 MolecularWeight: 492.40754

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=CC3=CN(C4=C3C=C(C=C4)Br)CC(=O)N5CCCCCC5)C1=O

Isomeric SMILES

CN1C2=CC=CC=C2/C(=C\C3=CN(C4=C3C=C(C=C4)Br)CC(=O)N5CCCCCC5)/C1=O

InChI

InChI=1S/C26H26BrN3O2/c1-28-23-9-5-4-8-20(23)22(26(28)32)14-18-16-30(24-11-10-19(27)15-21(18)24)17-25(31)29-12-6-2-3-7-13-29/h4-5,8-11,14-16H,2-3,6-7,12-13,17H2,1H3/b22-14+