N-[[1-(azepan-1-ylmethyl)-5-bromanyl-2-oxidanylidene-indol-3-ylidene]amino]-2-(3,4-dimethoxyphenyl)ethanamide

Systemtic Name: N-[[1-(azepan-1-ylmethyl)-5-bromanyl-2-oxidanylidene-indol-3-ylidene]amino]-2-(3,4-dimethoxyphenyl)ethanamide Openeye Name: N-[[1-(azepan-1-ylmethyl)-5-bromo-2-oxo-indolin-3-ylidene]amino]-2-(3,4-dimethoxyphenyl)acetamide CAS Name: N-[[1-(1-azepanylmethyl)-5-bromo-2-oxo-3-indolylidene]amino]-2-(3,4-dimethoxyphenyl)acetamide IUPAC Name: N-[[1-(azepan-1-ylmethyl)-5-bromo-2-oxoindol-3-ylidene]amino]-2-(3,4-dimethoxyphenyl)acetamide Traditional Name: N-[[1-(azepan-1-ylmethyl)-5-bromo-2-keto-indolin-3-ylidene]amino]-2-(3,4-dimethoxyphenyl)acetamide Formula: C25H29BrN4O4 MolecularWeight: 529.42616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)NN=C2C3=C(C=CC(=C3)Br)N(C2=O)CN4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)NN=C2C3=C(C=CC(=C3)Br)N(C2=O)CN4CCCCCC4)OC

InChI

InChI=1S/C25H29BrN4O4/c1-33-21-10-7-17(13-22(21)34-2)14-23(31)27-28-24-19-15-18(26)8-9-20(19)30(25(24)32)16-29-11-5-3-4-6-12-29/h7-10,13,15H,3-6,11-12,14,16H2,1-2H3,(H,27,31)