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

Systemtic Name: N-[[1-(azepan-1-ylmethyl)-5-bromanyl-2-oxidanylidene-indol-3-ylidene]amino]-2-(4-methoxyphenyl)ethanamide Openeye Name: N-[[1-(azepan-1-ylmethyl)-5-bromo-2-oxo-indolin-3-ylidene]amino]-2-(4-methoxyphenyl)acetamide CAS Name: N-[[1-(1-azepanylmethyl)-5-bromo-2-oxo-3-indolylidene]amino]-2-(4-methoxyphenyl)acetamide IUPAC Name: N-[[1-(azepan-1-ylmethyl)-5-bromo-2-oxoindol-3-ylidene]amino]-2-(4-methoxyphenyl)acetamide Traditional Name: N-[[1-(azepan-1-ylmethyl)-5-bromo-2-keto-indolin-3-ylidene]amino]-2-(4-methoxyphenyl)acetamide Formula: C24H27BrN4O3 MolecularWeight: 499.40018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27BrN4O3/c1-32-19-9-6-17(7-10-19)14-22(30)26-27-23-20-15-18(25)8-11-21(20)29(24(23)31)16-28-12-4-2-3-5-13-28/h6-11,15H,2-5,12-14,16H2,1H3,(H,26,30)