N-[(E)-[1-(azepan-1-ylmethyl)-5-bromanyl-2-oxidanylidene-indol-3-ylidene]amino]-3,4-dimethoxy-benzamide

Systemtic Name: N-[(E)-[1-(azepan-1-ylmethyl)-5-bromanyl-2-oxidanylidene-indol-3-ylidene]amino]-3,4-dimethoxy-benzamide Openeye Name: N-[(E)-[1-(azepan-1-ylmethyl)-5-bromo-2-oxo-indolin-3-ylidene]amino]-3,4-dimethoxy-benzamide CAS Name: N-[(E)-[1-(1-azepanylmethyl)-5-bromo-2-oxo-3-indolylidene]amino]-3,4-dimethoxybenzamide IUPAC Name: N-[(E)-[1-(azepan-1-ylmethyl)-5-bromo-2-oxoindol-3-ylidene]amino]-3,4-dimethoxybenzamide Traditional Name: N-[(E)-[1-(azepan-1-ylmethyl)-5-bromo-2-keto-indolin-3-ylidene]amino]-3,4-dimethoxy-benzamide Formula: C24H27BrN4O4 MolecularWeight: 515.39958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N/N=C/2\C3=C(C=CC(=C3)Br)N(C2=O)CN4CCCCCC4)OC

InChI

InChI=1S/C24H27BrN4O4/c1-32-20-10-7-16(13-21(20)33-2)23(30)27-26-22-18-14-17(25)8-9-19(18)29(24(22)31)15-28-11-5-3-4-6-12-28/h7-10,13-14H,3-6,11-12,15H2,1-2H3,(H,27,30)/b26-22+