N-[2-[4-[(2-bromanyl-5-methoxy-phenyl)methyl]piperazin-1-yl]ethyl]-N-(2-cyanophenyl)cyclohexanecarboxamide

Systemtic Name: N-[2-[4-[(2-bromanyl-5-methoxy-phenyl)methyl]piperazin-1-yl]ethyl]-N-(2-cyanophenyl)cyclohexanecarboxamide Openeye Name: N-[2-[4-[(2-bromo-5-methoxy-phenyl)methyl]piperazin-1-yl]ethyl]-N-(2-cyanophenyl)cyclohexanecarboxamide CAS Name: N-[2-[4-[(2-bromo-5-methoxyphenyl)methyl]-1-piperazinyl]ethyl]-N-(2-cyanophenyl)cyclohexanecarboxamide IUPAC Name: N-[2-[4-[(2-bromo-5-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-N-(2-cyanophenyl)cyclohexanecarboxamide Traditional Name: N-[2-[4-(2-bromo-5-methoxy-benzyl)piperazino]ethyl]-N-(2-cyanophenyl)cyclohexanecarboxamide Formula: C28H35BrN4O2 MolecularWeight: 539.5071

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)CN2CCN(CC2)CCN(C3=CC=CC=C3C#N)C(=O)C4CCCCC4

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CN2CCN(CC2)CCN(C3=CC=CC=C3C#N)C(=O)C4CCCCC4

InChI

InChI=1S/C28H35BrN4O2/c1-35-25-11-12-26(29)24(19-25)21-32-15-13-31(14-16-32)17-18-33(27-10-6-5-9-23(27)20-30)28(34)22-7-3-2-4-8-22/h5-6,9-12,19,22H,2-4,7-8,13-18,21H2,1H3