N'-(2-bromophenyl)-N-(4-cyano-2-oxidanyl-phenyl)-2-(piperidin-1-ylmethyl)piperidine-1-carboximidamide

Systemtic Name: N'-(2-bromophenyl)-N-(4-cyano-2-oxidanyl-phenyl)-2-(piperidin-1-ylmethyl)piperidine-1-carboximidamide Openeye Name: N'-(2-bromophenyl)-N-(4-cyano-2-hydroxy-phenyl)-2-(1-piperidylmethyl)piperidine-1-carboxamidine CAS Name: N'-(2-bromophenyl)-N-(4-cyano-2-hydroxyphenyl)-2-(1-piperidinylmethyl)-1-piperidinecarboximidamide IUPAC Name: N'-(2-bromophenyl)-N-(4-cyano-2-hydroxyphenyl)-2-(piperidin-1-ylmethyl)piperidine-1-carboximidamide Traditional Name: N'-(2-bromophenyl)-N-(4-cyano-2-hydroxy-phenyl)-2-(piperidinomethyl)piperidine-1-carboxamidine Formula: C25H30BrN5O MolecularWeight: 496.4426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2CCCCN2C(=NC3=CC=CC=C3Br)NC4=C(C=C(C=C4)C#N)O

Isomeric SMILES

C1CCN(CC1)CC2CCCCN2C(=NC3=CC=CC=C3Br)NC4=C(C=C(C=C4)C#N)O

InChI

InChI=1S/C25H30BrN5O/c26-21-9-2-3-10-22(21)28-25(29-23-12-11-19(17-27)16-24(23)32)31-15-7-4-8-20(31)18-30-13-5-1-6-14-30/h2-3,9-12,16,20,32H,1,4-8,13-15,18H2,(H,28,29)