3-bromanyl-N-[(4-cyclohexylpiperazin-1-yl)-[(2-methoxyphenyl)amino]methylidene]benzamide

Systemtic Name: 3-bromanyl-N-[(4-cyclohexylpiperazin-1-yl)-[(2-methoxyphenyl)amino]methylidene]benzamide Openeye Name: 3-bromo-N-[(4-cyclohexylpiperazin-1-yl)-(2-methoxyanilino)methylene]benzamide CAS Name: 3-bromo-N-[(4-cyclohexyl-1-piperazinyl)-(2-methoxyanilino)methylidene]benzamide IUPAC Name: 3-bromo-N-[(4-cyclohexylpiperazin-1-yl)-(2-methoxyanilino)methylidene]benzamide Traditional Name: 3-bromo-N-[(4-cyclohexylpiperazino)-(o-anisidino)methylene]benzamide Formula: C25H31BrN4O2 MolecularWeight: 499.44324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=NC(=O)C2=CC(=CC=C2)Br)N3CCN(CC3)C4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1NC(=NC(=O)C2=CC(=CC=C2)Br)N3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C25H31BrN4O2/c1-32-23-13-6-5-12-22(23)27-25(28-24(31)19-8-7-9-20(26)18-19)30-16-14-29(15-17-30)21-10-3-2-4-11-21/h5-9,12-13,18,21H,2-4,10-11,14-17H2,1H3,(H,27,28,31)